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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/primer-7bf5910f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/primer-7bf5910f/inputs/seq.fa: 1
curr_seq: _UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUACCUCACUAUGCUCUCCAGGUACAGUUGGUACCUGUCUCCACUUAACUA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -208.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881575 (E_RNA)
where:
Base-Base interactions energy: -2.266
where: short stacking energy: -2.266
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -308.388814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.388814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.388814 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -120.551
Base-Backbone interact. energy: -0.073
local terms energy: -169.445779
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -291.316170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.316170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.316170 (E_RNA)
where:
Base-Base interactions energy: -157.767
where: short stacking energy: -98.477
Base-Backbone interact. energy: -1.175
local terms energy: -132.373856
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -273.922080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.922080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.922080 (E_RNA)
where:
Base-Base interactions energy: -114.972
where: short stacking energy: -94.187
Base-Backbone interact. energy: -0.170
local terms energy: -158.780466
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -35.230
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -269.964773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.964773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.964773 (E_RNA)
where:
Base-Base interactions energy: -111.601
where: short stacking energy: -111.601
Base-Backbone interact. energy: 0.475
local terms energy: -158.839155
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -37.176
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -33.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -225.391276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.391276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.391276 (E_RNA)
where:
Base-Base interactions energy: -90.442
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.251
local terms energy: -134.698235
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -210.821584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.821584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.821584 (E_RNA)
where:
Base-Base interactions energy: -77.493
where: short stacking energy: -77.493
Base-Backbone interact. energy: 1.196
local terms energy: -134.523954
where:
bonds (distance) C4'-P energy: -32.128
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -208.480760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.480760 (E_RNA)
where:
Base-Base interactions energy: -3.722
where: short stacking energy: -3.722
Base-Backbone interact. energy: -0.000
local terms energy: -204.758460
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -209.680020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.680020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.680020 (E_RNA)
where:
Base-Base interactions energy: -4.922
where: short stacking energy: -4.922
Base-Backbone interact. energy: -0.000
local terms energy: -204.758460
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -209.495326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.495326 (E_RNA)
where:
Base-Base interactions energy: -4.921
where: short stacking energy: -4.921
Base-Backbone interact. energy: -0.000
local terms energy: -204.574522
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -211.164664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.164664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.164664 (E_RNA)
where:
Base-Base interactions energy: -6.590
where: short stacking energy: -6.590
Base-Backbone interact. energy: -0.000
local terms energy: -204.574522
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -306.175097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.175097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.175097 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -136.382
Base-Backbone interact. energy: 0.785
local terms energy: -160.404108
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -339.845560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.845560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.845560 (E_RNA)
where:
Base-Base interactions energy: -182.828
where: short stacking energy: -124.640
Base-Backbone interact. energy: -1.993
local terms energy: -155.024778
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -32.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -274.175248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.175248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.175248 (E_RNA)
where:
Base-Base interactions energy: -130.344
where: short stacking energy: -119.259
Base-Backbone interact. energy: 1.555
local terms energy: -145.386293
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -260.372488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.372488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.372488 (E_RNA)
where:
Base-Base interactions energy: -115.637
where: short stacking energy: -115.548
Base-Backbone interact. energy: -0.136
local terms energy: -144.598983
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -233.411016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.411016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.411016 (E_RNA)
where:
Base-Base interactions energy: -101.533
where: short stacking energy: -83.691
Base-Backbone interact. energy: 1.007
local terms energy: -132.885405
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -209.329498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.329498 (E_RNA)
where:
Base-Base interactions energy: -76.728
where: short stacking energy: -76.632
Base-Backbone interact. energy: -0.820
local terms energy: -131.781557
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -203.731466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.731466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.731466 (E_RNA)
where:
Base-Base interactions energy: -97.491
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.796
local terms energy: -105.444556
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -183.803587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.803587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803587 (E_RNA)
where:
Base-Base interactions energy: -65.733
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.162
local terms energy: -117.908973
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -31.374
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -188.164635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.164635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.164635 (E_RNA)
where:
Base-Base interactions energy: -101.279
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.703
local terms energy: -86.183099
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -33.974
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -175.015990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.015990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.015990 (E_RNA)
where:
Base-Base interactions energy: -61.912
where: short stacking energy: -41.243
Base-Backbone interact. energy: -1.545
local terms energy: -111.558821
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -29.640
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -387.199961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.199961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.199961 (E_RNA)
where:
Base-Base interactions energy: -227.235
where: short stacking energy: -146.076
Base-Backbone interact. energy: -0.453
local terms energy: -159.511267
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -333.814236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.814236 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -112.170
Base-Backbone interact. energy: -0.910
local terms energy: -158.919909
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -42.737
flat angles P-C4'-P energy: -27.086
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -289.055744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.055744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.055744 (E_RNA)
where:
Base-Base interactions energy: -143.293
where: short stacking energy: -103.917
Base-Backbone interact. energy: -1.019
local terms energy: -144.743911
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -250.329445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.329445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.329445 (E_RNA)
where:
Base-Base interactions energy: -105.663
where: short stacking energy: -90.649
Base-Backbone interact. energy: -0.104
local terms energy: -144.562497
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -33.874
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -221.582049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.582049 (E_RNA)
where:
Base-Base interactions energy: -99.628
where: short stacking energy: -80.411
Base-Backbone interact. energy: -0.389
local terms energy: -121.564918
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -255.564688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.564688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.564688 (E_RNA)
where:
Base-Base interactions energy: -131.997
where: short stacking energy: -75.674
Base-Backbone interact. energy: 2.007
local terms energy: -125.573992
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -202.356495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.356495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356495 (E_RNA)
where:
Base-Base interactions energy: -77.632
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.427
local terms energy: -124.297298
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -38.246
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -207.347876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347876 (E_RNA)
where:
Base-Base interactions energy: -97.600
where: short stacking energy: -51.455
Base-Backbone interact. energy: -1.849
local terms energy: -107.898593
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -171.654387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.654387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.654387 (E_RNA)
where:
Base-Base interactions energy: -70.934
where: short stacking energy: -44.216
Base-Backbone interact. energy: -1.212
local terms energy: -99.508592
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -35.917
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: 5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -158.903972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.903972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.903972 (E_RNA)
where:
Base-Base interactions energy: -66.504
where: short stacking energy: -53.217
Base-Backbone interact. energy: -1.128
local terms energy: -91.271868
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: 6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -400.970577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.970577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.970577 (E_RNA)
where:
Base-Base interactions energy: -242.441
where: short stacking energy: -131.204
Base-Backbone interact. energy: -0.078
local terms energy: -158.451882
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -36.829
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -345.393881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.393881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.393881 (E_RNA)
where:
Base-Base interactions energy: -181.672
where: short stacking energy: -121.018
Base-Backbone interact. energy: -4.492
local terms energy: -159.230176
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -31.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -278.187217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.187217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.187217 (E_RNA)
where:
Base-Base interactions energy: -130.616
where: short stacking energy: -99.502
Base-Backbone interact. energy: -0.513
local terms energy: -147.058878
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -238.143349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.143349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.143349 (E_RNA)
where:
Base-Base interactions energy: -101.694
where: short stacking energy: -80.437
Base-Backbone interact. energy: -0.848
local terms energy: -135.602091
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -220.660341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660341 (E_RNA)
where:
Base-Base interactions energy: -86.505
where: short stacking energy: -71.043
Base-Backbone interact. energy: 0.112
local terms energy: -134.267102
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -235.889241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.889241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.889241 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.767
local terms energy: -123.842968
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -198.441149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.441149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.441149 (E_RNA)
where:
Base-Base interactions energy: -79.486
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.119
local terms energy: -118.835948
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -35.378
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -235.577006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.577006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.577006 (E_RNA)
where:
Base-Base interactions energy: -119.970
where: short stacking energy: -82.465
Base-Backbone interact. energy: 0.676
local terms energy: -116.283191
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -164.037901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.037901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.037901 (E_RNA)
where:
Base-Base interactions energy: -62.250
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.874
local terms energy: -100.913972
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -157.011491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.011491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.011491 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -49.794
Base-Backbone interact. energy: 0.334
local terms energy: -107.279255
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -33.119
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -346.528940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.528940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.528940 (E_RNA)
where:
Base-Base interactions energy: -197.522
where: short stacking energy: -127.975
Base-Backbone interact. energy: 0.100
local terms energy: -149.106936
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -389.732717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.732717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.732717 (E_RNA)
where:
Base-Base interactions energy: -225.178
where: short stacking energy: -136.827
Base-Backbone interact. energy: -0.472
local terms energy: -164.082782
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -267.003129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.003129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.003129 (E_RNA)
where:
Base-Base interactions energy: -121.494
where: short stacking energy: -97.852
Base-Backbone interact. energy: -1.043
local terms energy: -144.466087
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -281.651681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.651681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.651681 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -106.927
Base-Backbone interact. energy: -0.205
local terms energy: -144.693101
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -27.448
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -238.460407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.460407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.460407 (E_RNA)
where:
Base-Base interactions energy: -114.222
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.981
local terms energy: -123.257710
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -223.469806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.469806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.469806 (E_RNA)
where:
Base-Base interactions energy: -89.721
where: short stacking energy: -75.832
Base-Backbone interact. energy: 0.241
local terms energy: -133.989935
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -256.559681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.559681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.559681 (E_RNA)
where:
Base-Base interactions energy: -129.495
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.767
local terms energy: -126.297848
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -197.917289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.917289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.917289 (E_RNA)
where:
Base-Base interactions energy: -86.753
where: short stacking energy: -54.676
Base-Backbone interact. energy: 0.046
local terms energy: -111.210217
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -31.875
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -218.821973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821973 (E_RNA)
where:
Base-Base interactions energy: -97.270
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.290
local terms energy: -121.262366
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -152.155288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.155288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.155288 (E_RNA)
where:
Base-Base interactions energy: -54.889
where: short stacking energy: -41.180
Base-Backbone interact. energy: 0.088
local terms energy: -97.354153
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: 1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -366.752308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.752308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.752308 (E_RNA)
where:
Base-Base interactions energy: -208.188
where: short stacking energy: -117.324
Base-Backbone interact. energy: -1.455
local terms energy: -157.109927
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -38.260
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -24.046
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -383.557146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.557146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.557146 (E_RNA)
where:
Base-Base interactions energy: -217.762
where: short stacking energy: -114.053
Base-Backbone interact. energy: -0.647
local terms energy: -165.147590
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -30.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -374.930981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.930981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.930981 (E_RNA)
where:
Base-Base interactions energy: -212.849
where: short stacking energy: -135.225
Base-Backbone interact. energy: 1.996
local terms energy: -164.077551
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -40.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -292.066370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.066370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.066370 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -117.837
Base-Backbone interact. energy: -0.097
local terms energy: -161.837009
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -37.009
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -32.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -357.814530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.814530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.814530 (E_RNA)
where:
Base-Base interactions energy: -205.403
where: short stacking energy: -99.298
Base-Backbone interact. energy: -0.922
local terms energy: -151.489899
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -290.864110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.864110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.864110 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -88.276
Base-Backbone interact. energy: -0.149
local terms energy: -134.550954
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -221.013963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.013963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.013963 (E_RNA)
where:
Base-Base interactions energy: -110.675
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.490
local terms energy: -109.849514
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -30.371
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -218.303141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.303141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.303141 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.108
local terms energy: -99.152070
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -153.739044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.739044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.739044 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -32.687
Base-Backbone interact. energy: -0.401
local terms energy: -108.434026
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -160.463027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.463027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.463027 (E_RNA)
where:
Base-Base interactions energy: -50.274
where: short stacking energy: -39.950
Base-Backbone interact. energy: -0.252
local terms energy: -109.936142
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -413.437745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.437745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.437745 (E_RNA)
where:
Base-Base interactions energy: -246.531
where: short stacking energy: -125.786
Base-Backbone interact. energy: -0.589
local terms energy: -166.317830
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -405.465364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.465364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.465364 (E_RNA)
where:
Base-Base interactions energy: -246.538
where: short stacking energy: -144.607
Base-Backbone interact. energy: -0.314
local terms energy: -158.613622
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -369.619678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.619678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.619678 (E_RNA)
where:
Base-Base interactions energy: -227.518
where: short stacking energy: -120.180
Base-Backbone interact. energy: -0.340
local terms energy: -141.761978
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -251.124636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.124636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.124636 (E_RNA)
where:
Base-Base interactions energy: -109.410
where: short stacking energy: -84.942
Base-Backbone interact. energy: 0.240
local terms energy: -141.954611
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -372.069641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.069641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.069641 (E_RNA)
where:
Base-Base interactions energy: -232.952
where: short stacking energy: -98.132
Base-Backbone interact. energy: 1.262
local terms energy: -140.380590
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -273.909730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.909730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.909730 (E_RNA)
where:
Base-Base interactions energy: -136.928
where: short stacking energy: -75.303
Base-Backbone interact. energy: 0.554
local terms energy: -137.535685
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -274.551241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.551241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.551241 (E_RNA)
where:
Base-Base interactions energy: -164.432
where: short stacking energy: -87.464
Base-Backbone interact. energy: -2.455
local terms energy: -107.663753
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -199.601136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.601136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.601136 (E_RNA)
where:
Base-Base interactions energy: -71.293
where: short stacking energy: -51.807
Base-Backbone interact. energy: -1.556
local terms energy: -126.751669
where:
bonds (distance) C4'-P energy: -33.643
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -172.949652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.949652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.949652 (E_RNA)
where:
Base-Base interactions energy: -58.459
where: short stacking energy: -54.231
Base-Backbone interact. energy: 0.681
local terms energy: -115.171779
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -28.487
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -173.363617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.363617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.363617 (E_RNA)
where:
Base-Base interactions energy: -62.643
where: short stacking energy: -47.043
Base-Backbone interact. energy: 1.914
local terms energy: -112.634286
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -427.744496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.744496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.744496 (E_RNA)
where:
Base-Base interactions energy: -273.459
where: short stacking energy: -133.094
Base-Backbone interact. energy: 0.114
local terms energy: -154.399227
where:
bonds (distance) C4'-P energy: -34.367
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -27.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -436.039406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.039406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.039406 (E_RNA)
where:
Base-Base interactions energy: -270.805
where: short stacking energy: -142.435
Base-Backbone interact. energy: -0.070
local terms energy: -165.164022
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -35.592
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -35.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -376.770784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.770784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.770784 (E_RNA)
where:
Base-Base interactions energy: -210.646
where: short stacking energy: -110.025
Base-Backbone interact. energy: 0.898
local terms energy: -167.022490
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -26.313
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -373.279235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.279235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.279235 (E_RNA)
where:
Base-Base interactions energy: -220.336
where: short stacking energy: -107.214
Base-Backbone interact. energy: -0.496
local terms energy: -152.447217
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -249.223821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.223821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.223821 (E_RNA)
where:
Base-Base interactions energy: -116.344
where: short stacking energy: -109.108
Base-Backbone interact. energy: -0.973
local terms energy: -131.907653
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -293.669952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.669952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.669952 (E_RNA)
where:
Base-Base interactions energy: -172.536
where: short stacking energy: -93.875
Base-Backbone interact. energy: 0.018
local terms energy: -121.151981
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -246.580251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.580251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.580251 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.326
local terms energy: -125.344773
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -162.951490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.951490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.951490 (E_RNA)
where:
Base-Base interactions energy: -60.587
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.195
local terms energy: -102.169642
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -37.179
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -167.493435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493435 (E_RNA)
where:
Base-Base interactions energy: -70.844
where: short stacking energy: -54.587
Base-Backbone interact. energy: -1.198
local terms energy: -95.451758
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -152.630458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.630458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.630458 (E_RNA)
where:
Base-Base interactions energy: -46.175
where: short stacking energy: -43.252
Base-Backbone interact. energy: 0.200
local terms energy: -106.655961
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -28.632
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -464.524540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.524540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.524540 (E_RNA)
where:
Base-Base interactions energy: -285.086
where: short stacking energy: -157.336
Base-Backbone interact. energy: -0.152
local terms energy: -179.286293
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -45.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -410.542336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.542336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.542336 (E_RNA)
where:
Base-Base interactions energy: -258.005
where: short stacking energy: -128.658
Base-Backbone interact. energy: -0.459
local terms energy: -152.078800
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -30.505
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -33.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -428.673232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.673232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.673232 (E_RNA)
where:
Base-Base interactions energy: -265.324
where: short stacking energy: -124.984
Base-Backbone interact. energy: -0.391
local terms energy: -162.958791
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -390.536500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.536500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.536500 (E_RNA)
where:
Base-Base interactions energy: -236.520
where: short stacking energy: -124.972
Base-Backbone interact. energy: -1.133
local terms energy: -152.884005
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -331.264547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.264547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.264547 (E_RNA)
where:
Base-Base interactions energy: -194.887
where: short stacking energy: -100.104
Base-Backbone interact. energy: 1.043
local terms energy: -137.420853
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -202.166568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.166568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.166568 (E_RNA)
where:
Base-Base interactions energy: -87.622
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.669
local terms energy: -113.875759
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -249.460580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.460580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.460580 (E_RNA)
where:
Base-Base interactions energy: -122.569
where: short stacking energy: -91.366
Base-Backbone interact. energy: -0.194
local terms energy: -126.698284
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -180.768726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.768726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.768726 (E_RNA)
where:
Base-Base interactions energy: -59.221
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.152
local terms energy: -121.395163
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -168.693940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.693940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.693940 (E_RNA)
where:
Base-Base interactions energy: -61.801
where: short stacking energy: -53.126
Base-Backbone interact. energy: 1.822
local terms energy: -108.715672
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -157.978339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.978339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.978339 (E_RNA)
where:
Base-Base interactions energy: -65.528
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.408
local terms energy: -92.041892
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -454.199558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.199558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.199558 (E_RNA)
where:
Base-Base interactions energy: -283.214
where: short stacking energy: -126.717
Base-Backbone interact. energy: -1.288
local terms energy: -169.698023
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -35.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -459.584525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.584525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.584525 (E_RNA)
where:
Base-Base interactions energy: -290.699
where: short stacking energy: -146.021
Base-Backbone interact. energy: -0.442
local terms energy: -168.444329
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -383.422340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.422340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.422340 (E_RNA)
where:
Base-Base interactions energy: -231.584
where: short stacking energy: -130.596
Base-Backbone interact. energy: -1.023
local terms energy: -150.815858
where:
bonds (distance) C4'-P energy: -41.124
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -412.176640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.176640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.176640 (E_RNA)
where:
Base-Base interactions energy: -259.484
where: short stacking energy: -126.641
Base-Backbone interact. energy: -0.565
local terms energy: -152.127030
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -39.097
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -383.004309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.004309 (E_RNA)
where:
Base-Base interactions energy: -240.985
where: short stacking energy: -106.826
Base-Backbone interact. energy: 1.626
local terms energy: -143.645081
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -27.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -294.151270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.151270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.151270 (E_RNA)
where:
Base-Base interactions energy: -163.631
where: short stacking energy: -88.188
Base-Backbone interact. energy: 0.563
local terms energy: -131.082963
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -192.463112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.463112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463112 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -74.574
Base-Backbone interact. energy: -1.122
local terms energy: -110.609019
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -218.837822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.837822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.837822 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -72.544
Base-Backbone interact. energy: -1.022
local terms energy: -105.881816
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -166.149518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.149518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.149518 (E_RNA)
where:
Base-Base interactions energy: -73.402
where: short stacking energy: -49.512
Base-Backbone interact. energy: -0.555
local terms energy: -92.191916
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -161.407757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.407757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.407757 (E_RNA)
where:
Base-Base interactions energy: -76.446
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.511
local terms energy: -84.451430
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -469.596022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.596022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.596022 (E_RNA)
where:
Base-Base interactions energy: -273.157
where: short stacking energy: -165.937
Base-Backbone interact. energy: -0.055
local terms energy: -196.384190
where:
bonds (distance) C4'-P energy: -36.156
bonds (distance) P-C4' energy: -40.419
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -52.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -448.016050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.016050 (E_RNA)
where:
Base-Base interactions energy: -290.234
where: short stacking energy: -137.282
Base-Backbone interact. energy: -1.009
local terms energy: -156.772930
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -37.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -478.482434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.482434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.482434 (E_RNA)
where:
Base-Base interactions energy: -305.898
where: short stacking energy: -153.838
Base-Backbone interact. energy: -0.528
local terms energy: -172.056385
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -353.330963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.330963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.330963 (E_RNA)
where:
Base-Base interactions energy: -199.201
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.182
local terms energy: -153.948553
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -372.652874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.652874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.652874 (E_RNA)
where:
Base-Base interactions energy: -216.483
where: short stacking energy: -91.050
Base-Backbone interact. energy: -0.714
local terms energy: -155.455780
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -29.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -302.968166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.968166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.968166 (E_RNA)
where:
Base-Base interactions energy: -170.282
where: short stacking energy: -102.064
Base-Backbone interact. energy: 1.781
local terms energy: -134.467068
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -273.130516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.130516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.130516 (E_RNA)
where:
Base-Base interactions energy: -142.777
where: short stacking energy: -82.997
Base-Backbone interact. energy: -0.745
local terms energy: -129.608697
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -176.105435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.105435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.105435 (E_RNA)
where:
Base-Base interactions energy: -65.729
where: short stacking energy: -40.568
Base-Backbone interact. energy: -1.106
local terms energy: -109.270082
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: 4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -172.207843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.207843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.207843 (E_RNA)
where:
Base-Base interactions energy: -75.618
where: short stacking energy: -44.574
Base-Backbone interact. energy: 1.770
local terms energy: -98.360173
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: 3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -184.897534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.897534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.897534 (E_RNA)
where:
Base-Base interactions energy: -67.787
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.597
local terms energy: -116.513520
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -487.477929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.477929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.477929 (E_RNA)
where:
Base-Base interactions energy: -287.801
where: short stacking energy: -156.604
Base-Backbone interact. energy: -0.245
local terms energy: -199.431853
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -51.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -475.249896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.249896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.249896 (E_RNA)
where:
Base-Base interactions energy: -308.559
where: short stacking energy: -155.857
Base-Backbone interact. energy: -0.395
local terms energy: -166.296200
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -39.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -449.054363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.054363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.054363 (E_RNA)
where:
Base-Base interactions energy: -280.216
where: short stacking energy: -138.071
Base-Backbone interact. energy: -0.718
local terms energy: -168.120149
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -41.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -408.573877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.573877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.573877 (E_RNA)
where:
Base-Base interactions energy: -256.711
where: short stacking energy: -122.036
Base-Backbone interact. energy: 0.092
local terms energy: -151.955057
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -35.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -344.804591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.804591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.804591 (E_RNA)
where:
Base-Base interactions energy: -206.816
where: short stacking energy: -91.881
Base-Backbone interact. energy: -1.149
local terms energy: -136.839428
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -281.257795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.257795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.257795 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -90.872
Base-Backbone interact. energy: 1.210
local terms energy: -143.878239
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -34.554
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -298.510629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.510629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.510629 (E_RNA)
where:
Base-Base interactions energy: -175.395
where: short stacking energy: -87.422
Base-Backbone interact. energy: -2.012
local terms energy: -121.103608
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -176.265995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265995 (E_RNA)
where:
Base-Base interactions energy: -71.785
where: short stacking energy: -42.632
Base-Backbone interact. energy: 0.401
local terms energy: -104.882072
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -174.550635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.550635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.550635 (E_RNA)
where:
Base-Base interactions energy: -72.963
where: short stacking energy: -42.919
Base-Backbone interact. energy: -0.973
local terms energy: -100.614094
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -156.197436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.197436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.197436 (E_RNA)
where:
Base-Base interactions energy: -70.456
where: short stacking energy: -48.491
Base-Backbone interact. energy: 1.139
local terms energy: -86.879635
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: 4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -466.366578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.366578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.366578 (E_RNA)
where:
Base-Base interactions energy: -288.295
where: short stacking energy: -158.600
Base-Backbone interact. energy: -0.824
local terms energy: -177.247108
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -37.422
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -42.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -476.462487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.462487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.462487 (E_RNA)
where:
Base-Base interactions energy: -305.056
where: short stacking energy: -152.678
Base-Backbone interact. energy: 0.334
local terms energy: -171.740561
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -440.709447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.709447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.709447 (E_RNA)
where:
Base-Base interactions energy: -279.209
where: short stacking energy: -132.083
Base-Backbone interact. energy: -2.261
local terms energy: -159.239539
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -41.008
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -28.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -460.570018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.570018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.570018 (E_RNA)
where:
Base-Base interactions energy: -293.656
where: short stacking energy: -127.221
Base-Backbone interact. energy: -1.084
local terms energy: -165.829898
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -316.824643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.824643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.824643 (E_RNA)
where:
Base-Base interactions energy: -182.063
where: short stacking energy: -105.379
Base-Backbone interact. energy: 0.565
local terms energy: -135.325787
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -292.313180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.313180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.313180 (E_RNA)
where:
Base-Base interactions energy: -167.010
where: short stacking energy: -83.631
Base-Backbone interact. energy: 0.088
local terms energy: -125.391923
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -293.364820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.364820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.364820 (E_RNA)
where:
Base-Base interactions energy: -153.656
where: short stacking energy: -76.385
Base-Backbone interact. energy: -0.328
local terms energy: -139.380912
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -171.036166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.036166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.036166 (E_RNA)
where:
Base-Base interactions energy: -48.895
where: short stacking energy: -42.136
Base-Backbone interact. energy: -0.451
local terms energy: -121.689524
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -185.624827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.624827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.624827 (E_RNA)
where:
Base-Base interactions energy: -72.927
where: short stacking energy: -59.639
Base-Backbone interact. energy: 0.513
local terms energy: -113.210622
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -41.084
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -145.271627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.271627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.271627 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.448
local terms energy: -102.444251
where:
bonds (distance) C4'-P energy: -29.014
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -473.819722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.819722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.819722 (E_RNA)
where:
Base-Base interactions energy: -289.280
where: short stacking energy: -151.050
Base-Backbone interact. energy: -0.655
local terms energy: -183.884459
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -39.396
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -38.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -474.569298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.569298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.569298 (E_RNA)
where:
Base-Base interactions energy: -303.321
where: short stacking energy: -147.608
Base-Backbone interact. energy: -0.557
local terms energy: -170.691665
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -36.513
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -40.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -451.762642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.762642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.762642 (E_RNA)
where:
Base-Base interactions energy: -298.135
where: short stacking energy: -133.917
Base-Backbone interact. energy: -0.274
local terms energy: -153.353561
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -37.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -446.165439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.165439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.165439 (E_RNA)
where:
Base-Base interactions energy: -295.784
where: short stacking energy: -133.414
Base-Backbone interact. energy: -1.270
local terms energy: -149.111562
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -356.622074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.622074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.622074 (E_RNA)
where:
Base-Base interactions energy: -217.617
where: short stacking energy: -105.816
Base-Backbone interact. energy: 0.007
local terms energy: -139.011752
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -327.072351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.072351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.072351 (E_RNA)
where:
Base-Base interactions energy: -180.269
where: short stacking energy: -97.937
Base-Backbone interact. energy: -1.520
local terms energy: -145.283433
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -291.054514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.054514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.054514 (E_RNA)
where:
Base-Base interactions energy: -163.866
where: short stacking energy: -94.560
Base-Backbone interact. energy: -0.207
local terms energy: -126.981308
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -167.385636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.385636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.385636 (E_RNA)
where:
Base-Base interactions energy: -75.674
where: short stacking energy: -56.902
Base-Backbone interact. energy: 1.352
local terms energy: -93.063933
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -162.748725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.748725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.748725 (E_RNA)
where:
Base-Base interactions energy: -67.569
where: short stacking energy: -66.102
Base-Backbone interact. energy: -0.013
local terms energy: -95.165981
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -150.807536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.807536 (E_RNA)
where:
Base-Base interactions energy: -53.976
where: short stacking energy: -51.738
Base-Backbone interact. energy: -1.427
local terms energy: -95.404870
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -488.902253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.902253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.902253 (E_RNA)
where:
Base-Base interactions energy: -308.367
where: short stacking energy: -160.489
Base-Backbone interact. energy: -0.725
local terms energy: -179.810861
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -38.895
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -44.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -440.942560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.942560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.942560 (E_RNA)
where:
Base-Base interactions energy: -263.656
where: short stacking energy: -142.981
Base-Backbone interact. energy: -0.365
local terms energy: -176.921044
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -41.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -478.416075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.416075 (E_RNA)
where:
Base-Base interactions energy: -325.099
where: short stacking energy: -133.817
Base-Backbone interact. energy: -0.528
local terms energy: -152.789532
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -38.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -453.055871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.055871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.055871 (E_RNA)
where:
Base-Base interactions energy: -290.279
where: short stacking energy: -154.991
Base-Backbone interact. energy: -1.846
local terms energy: -160.930022
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -40.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -365.594516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.594516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.594516 (E_RNA)
where:
Base-Base interactions energy: -213.590
where: short stacking energy: -123.711
Base-Backbone interact. energy: -0.246
local terms energy: -151.758798
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -32.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -390.345403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.345403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.345403 (E_RNA)
where:
Base-Base interactions energy: -238.970
where: short stacking energy: -120.631
Base-Backbone interact. energy: -1.058
local terms energy: -150.317374
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -34.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -282.153524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.153524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.153524 (E_RNA)
where:
Base-Base interactions energy: -161.099
where: short stacking energy: -79.395
Base-Backbone interact. energy: -0.312
local terms energy: -120.742470
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -173.427710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.427710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.427710 (E_RNA)
where:
Base-Base interactions energy: -61.861
where: short stacking energy: -57.884
Base-Backbone interact. energy: 0.586
local terms energy: -112.152705
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -175.045407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.045407 (E_RNA)
where:
Base-Base interactions energy: -70.425
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.772
local terms energy: -103.848297
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -159.011742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.011742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.011742 (E_RNA)
where:
Base-Base interactions energy: -63.604
where: short stacking energy: -47.832
Base-Backbone interact. energy: -0.288
local terms energy: -95.119342
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: 5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -499.403775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.403775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.403775 (E_RNA)
where:
Base-Base interactions energy: -314.730
where: short stacking energy: -149.093
Base-Backbone interact. energy: -0.232
local terms energy: -184.442171
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -34.139
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -47.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -503.145501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.145501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.145501 (E_RNA)
where:
Base-Base interactions energy: -321.432
where: short stacking energy: -139.187
Base-Backbone interact. energy: -3.668
local terms energy: -178.046143
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -42.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -435.534112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.534112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.534112 (E_RNA)
where:
Base-Base interactions energy: -253.769
where: short stacking energy: -151.232
Base-Backbone interact. energy: -0.272
local terms energy: -181.492806
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -466.689218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.689218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.689218 (E_RNA)
where:
Base-Base interactions energy: -306.806
where: short stacking energy: -143.965
Base-Backbone interact. energy: -2.052
local terms energy: -157.831755
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -41.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -367.762709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.762709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.762709 (E_RNA)
where:
Base-Base interactions energy: -217.567
where: short stacking energy: -106.181
Base-Backbone interact. energy: -0.984
local terms energy: -149.211121
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -38.409
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -363.274064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.274064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.274064 (E_RNA)
where:
Base-Base interactions energy: -217.857
where: short stacking energy: -101.064
Base-Backbone interact. energy: 1.242
local terms energy: -146.659007
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -27.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -273.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.430522 (E_RNA)
where:
Base-Base interactions energy: -153.733
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.578
local terms energy: -119.119383
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -185.278988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.278988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.278988 (E_RNA)
where:
Base-Base interactions energy: -78.263
where: short stacking energy: -57.181
Base-Backbone interact. energy: 3.208
local terms energy: -110.223498
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -186.116399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.116399 (E_RNA)
where:
Base-Base interactions energy: -85.874
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.682
local terms energy: -99.559950
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -167.302185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.302185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.302185 (E_RNA)
where:
Base-Base interactions energy: -63.230
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.224
local terms energy: -103.848001
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: 4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -509.157795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.157795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.157795 (E_RNA)
where:
Base-Base interactions energy: -329.926
where: short stacking energy: -158.538
Base-Backbone interact. energy: -0.225
local terms energy: -179.007008
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -41.472
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -47.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -487.927177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.927177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.927177 (E_RNA)
where:
Base-Base interactions energy: -310.503
where: short stacking energy: -151.514
Base-Backbone interact. energy: -0.304
local terms energy: -177.120591
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -47.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -452.637729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.637729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.637729 (E_RNA)
where:
Base-Base interactions energy: -282.655
where: short stacking energy: -150.709
Base-Backbone interact. energy: -0.176
local terms energy: -169.806419
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -49.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -433.081314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.081314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.081314 (E_RNA)
where:
Base-Base interactions energy: -253.491
where: short stacking energy: -145.070
Base-Backbone interact. energy: -1.771
local terms energy: -177.820042
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -42.701
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -362.538638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.538638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.538638 (E_RNA)
where:
Base-Base interactions energy: -216.332
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.577
local terms energy: -145.629215
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -27.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -384.835282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.835282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.835282 (E_RNA)
where:
Base-Base interactions energy: -234.022
where: short stacking energy: -122.665
Base-Backbone interact. energy: -0.722
local terms energy: -150.091708
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -37.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -289.972241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.972241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.972241 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -75.887
Base-Backbone interact. energy: -0.284
local terms energy: -134.940001
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -234.114608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.114608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.114608 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -53.002
Base-Backbone interact. energy: 0.774
local terms energy: -92.026219
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: 8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -154.833407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.833407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833407 (E_RNA)
where:
Base-Base interactions energy: -47.468
where: short stacking energy: -43.834
Base-Backbone interact. energy: 0.311
local terms energy: -107.676367
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -161.193029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.193029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.193029 (E_RNA)
where:
Base-Base interactions energy: -54.403
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.364
local terms energy: -106.426873
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: 5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -520.215023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.215023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.215023 (E_RNA)
where:
Base-Base interactions energy: -350.685
where: short stacking energy: -160.294
Base-Backbone interact. energy: -1.210
local terms energy: -168.319575
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -47.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -515.218398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.218398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.218398 (E_RNA)
where:
Base-Base interactions energy: -330.241
where: short stacking energy: -165.269
Base-Backbone interact. energy: 0.075
local terms energy: -185.052871
where:
bonds (distance) C4'-P energy: -38.057
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -50.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -478.058117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.058117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.058117 (E_RNA)
where:
Base-Base interactions energy: -299.745
where: short stacking energy: -145.225
Base-Backbone interact. energy: -0.057
local terms energy: -178.256004
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -45.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -454.375760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.375760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.375760 (E_RNA)
where:
Base-Base interactions energy: -294.736
where: short stacking energy: -145.918
Base-Backbone interact. energy: 1.664
local terms energy: -161.303820
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -38.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -396.337428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.337428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.337428 (E_RNA)
where:
Base-Base interactions energy: -235.787
where: short stacking energy: -121.736
Base-Backbone interact. energy: -0.083
local terms energy: -160.466508
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -31.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -352.404102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.404102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.404102 (E_RNA)
where:
Base-Base interactions energy: -209.839
where: short stacking energy: -108.607
Base-Backbone interact. energy: -0.443
local terms energy: -142.122307
where:
bonds (distance) C4'-P energy: -32.061
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -312.857814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.857814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.857814 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -98.549
Base-Backbone interact. energy: -1.099
local terms energy: -131.776346
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -210.648691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.648691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648691 (E_RNA)
where:
Base-Base interactions energy: -112.613
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.767
local terms energy: -97.268792
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -165.619802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.619802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.619802 (E_RNA)
where:
Base-Base interactions energy: -58.542
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.773
local terms energy: -106.304941
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -151.381646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.381646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.381646 (E_RNA)
where:
Base-Base interactions energy: -58.198
where: short stacking energy: -43.740
Base-Backbone interact. energy: -0.930
local terms energy: -92.253550
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -542.887872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.887872 (E_RNA)
where:
Base-Base interactions energy: -356.945
where: short stacking energy: -171.300
Base-Backbone interact. energy: 0.033
local terms energy: -185.976525
where:
bonds (distance) C4'-P energy: -34.781
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -49.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -510.212327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.212327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.212327 (E_RNA)
where:
Base-Base interactions energy: -334.983
where: short stacking energy: -152.462
Base-Backbone interact. energy: -1.843
local terms energy: -173.386585
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -42.088
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -42.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -458.280758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.280758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.280758 (E_RNA)
where:
Base-Base interactions energy: -288.898
where: short stacking energy: -146.030
Base-Backbone interact. energy: -1.120
local terms energy: -168.263477
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -40.338
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -39.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -447.414567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.414567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.414567 (E_RNA)
where:
Base-Base interactions energy: -288.743
where: short stacking energy: -137.405
Base-Backbone interact. energy: -0.857
local terms energy: -157.815158
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -397.047957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.047957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.047957 (E_RNA)
where:
Base-Base interactions energy: -249.333
where: short stacking energy: -126.628
Base-Backbone interact. energy: -0.167
local terms energy: -147.548751
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -388.721607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.721607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.721607 (E_RNA)
where:
Base-Base interactions energy: -226.378
where: short stacking energy: -122.393
Base-Backbone interact. energy: 1.105
local terms energy: -163.448177
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -287.082070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.082070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.082070 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.406
local terms energy: -132.190032
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -258.307140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.307140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.307140 (E_RNA)
where:
Base-Base interactions energy: -160.916
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.488
local terms energy: -96.903589
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -32.904
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -166.755369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.755369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.755369 (E_RNA)
where:
Base-Base interactions energy: -71.826
where: short stacking energy: -48.337
Base-Backbone interact. energy: -0.857
local terms energy: -94.072834
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -160.485804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.485804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.485804 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -64.286
Base-Backbone interact. energy: 2.562
local terms energy: -95.150415
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -564.980620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.980620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.980620 (E_RNA)
where:
Base-Base interactions energy: -372.346
where: short stacking energy: -176.111
Base-Backbone interact. energy: -0.017
local terms energy: -192.617672
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -58.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -457.829368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.829368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.829368 (E_RNA)
where:
Base-Base interactions energy: -286.168
where: short stacking energy: -136.451
Base-Backbone interact. energy: -1.037
local terms energy: -170.624230
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -39.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -481.950237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.950237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.950237 (E_RNA)
where:
Base-Base interactions energy: -318.466
where: short stacking energy: -136.057
Base-Backbone interact. energy: -0.833
local terms energy: -162.651341
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -38.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -405.544937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.544937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.544937 (E_RNA)
where:
Base-Base interactions energy: -250.395
where: short stacking energy: -128.025
Base-Backbone interact. energy: -0.517
local terms energy: -154.632970
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -32.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -450.046619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.046619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.046619 (E_RNA)
where:
Base-Base interactions energy: -279.726
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.111
local terms energy: -170.210098
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -377.537477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.537477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.537477 (E_RNA)
where:
Base-Base interactions energy: -236.798
where: short stacking energy: -118.019
Base-Backbone interact. energy: -0.347
local terms energy: -140.392529
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -269.847335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.847335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.847335 (E_RNA)
where:
Base-Base interactions energy: -143.909
where: short stacking energy: -90.943
Base-Backbone interact. energy: -0.320
local terms energy: -125.618948
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -269.836202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.836202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.836202 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -73.353
Base-Backbone interact. energy: -0.774
local terms energy: -128.378676
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -178.662517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662517 (E_RNA)
where:
Base-Base interactions energy: -61.572
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.220
local terms energy: -116.870178
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -158.015053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.015053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.015053 (E_RNA)
where:
Base-Base interactions energy: -42.417
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.132
local terms energy: -115.465788
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -556.977944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.977944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.977944 (E_RNA)
where:
Base-Base interactions energy: -364.851
where: short stacking energy: -171.702
Base-Backbone interact. energy: -0.293
local terms energy: -191.833179
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -28.598
tors. eta vs tors. theta energy: -54.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -450.871815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.871815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.871815 (E_RNA)
where:
Base-Base interactions energy: -276.716
where: short stacking energy: -152.688
Base-Backbone interact. energy: -0.140
local terms energy: -174.015766
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -485.473139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.473139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.473139 (E_RNA)
where:
Base-Base interactions energy: -315.083
where: short stacking energy: -130.976
Base-Backbone interact. energy: -0.737
local terms energy: -169.652960
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -28.676
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -414.257237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.257237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.257237 (E_RNA)
where:
Base-Base interactions energy: -259.094
where: short stacking energy: -124.702
Base-Backbone interact. energy: -0.630
local terms energy: -154.532326
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -29.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -428.137935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.137935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.137935 (E_RNA)
where:
Base-Base interactions energy: -274.098
where: short stacking energy: -126.187
Base-Backbone interact. energy: -0.565
local terms energy: -153.474666
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -376.153050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.153050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.153050 (E_RNA)
where:
Base-Base interactions energy: -228.471
where: short stacking energy: -112.472
Base-Backbone interact. energy: -0.574
local terms energy: -147.107789
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -270.616115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.616115 (E_RNA)
where:
Base-Base interactions energy: -144.408
where: short stacking energy: -83.333
Base-Backbone interact. energy: 1.225
local terms energy: -127.432967
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -275.139261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.139261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.139261 (E_RNA)
where:
Base-Base interactions energy: -134.648
where: short stacking energy: -72.233
Base-Backbone interact. energy: -1.404
local terms energy: -139.087523
where:
bonds (distance) C4'-P energy: -38.851
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -168.559250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.559250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.559250 (E_RNA)
where:
Base-Base interactions energy: -51.478
where: short stacking energy: -49.901
Base-Backbone interact. energy: -1.084
local terms energy: -115.997182
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -160.894202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.894202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.894202 (E_RNA)
where:
Base-Base interactions energy: -62.961
where: short stacking energy: -45.176
Base-Backbone interact. energy: -0.229
local terms energy: -97.704466
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -544.031493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.031493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.031493 (E_RNA)
where:
Base-Base interactions energy: -355.838
where: short stacking energy: -168.411
Base-Backbone interact. energy: -0.242
local terms energy: -187.951382
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -37.435
flat angles C4'-P-C4' energy: -40.094
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -512.056885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.056885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.056885 (E_RNA)
where:
Base-Base interactions energy: -323.827
where: short stacking energy: -139.178
Base-Backbone interact. energy: -1.326
local terms energy: -186.904011
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -38.673
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -45.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -452.888755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.888755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.888755 (E_RNA)
where:
Base-Base interactions energy: -267.272
where: short stacking energy: -141.970
Base-Backbone interact. energy: -0.278
local terms energy: -185.338333
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -43.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -441.538949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.538949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.538949 (E_RNA)
where:
Base-Base interactions energy: -287.070
where: short stacking energy: -133.385
Base-Backbone interact. energy: -0.048
local terms energy: -154.420816
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -39.539
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -36.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -407.331016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.331016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.331016 (E_RNA)
where:
Base-Base interactions energy: -254.014
where: short stacking energy: -135.078
Base-Backbone interact. energy: -0.328
local terms energy: -152.989222
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -34.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -374.438506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.438506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.438506 (E_RNA)
where:
Base-Base interactions energy: -232.307
where: short stacking energy: -122.500
Base-Backbone interact. energy: -0.060
local terms energy: -142.071243
where:
bonds (distance) C4'-P energy: -30.930
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -38.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -249.732839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.732839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.732839 (E_RNA)
where:
Base-Base interactions energy: -134.243
where: short stacking energy: -92.856
Base-Backbone interact. energy: 0.065
local terms energy: -115.554318
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -246.732224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.732224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.732224 (E_RNA)
where:
Base-Base interactions energy: -132.641
where: short stacking energy: -66.104
Base-Backbone interact. energy: -0.625
local terms energy: -113.466142
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -172.153914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.153914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.153914 (E_RNA)
where:
Base-Base interactions energy: -52.712
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.445
local terms energy: -118.997223
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -171.132562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.132562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.132562 (E_RNA)
where:
Base-Base interactions energy: -76.004
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.628
local terms energy: -94.499740
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -551.545882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.545882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.545882 (E_RNA)
where:
Base-Base interactions energy: -367.351
where: short stacking energy: -180.209
Base-Backbone interact. energy: -0.017
local terms energy: -184.177841
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -38.507
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -56.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -500.243199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.243199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.243199 (E_RNA)
where:
Base-Base interactions energy: -335.827
where: short stacking energy: -149.781
Base-Backbone interact. energy: -0.489
local terms energy: -163.927518
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -40.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -438.140195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.140195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.140195 (E_RNA)
where:
Base-Base interactions energy: -277.812
where: short stacking energy: -132.141
Base-Backbone interact. energy: -0.476
local terms energy: -159.852058
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -37.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -429.987900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.987900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.987900 (E_RNA)
where:
Base-Base interactions energy: -266.073
where: short stacking energy: -136.878
Base-Backbone interact. energy: 0.786
local terms energy: -164.701058
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -39.224
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -395.764229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.764229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.764229 (E_RNA)
where:
Base-Base interactions energy: -242.314
where: short stacking energy: -127.527
Base-Backbone interact. energy: -0.472
local terms energy: -152.978348
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -384.510841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.510841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.510841 (E_RNA)
where:
Base-Base interactions energy: -248.196
where: short stacking energy: -123.733
Base-Backbone interact. energy: -0.355
local terms energy: -135.960045
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -27.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -284.765989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.765989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.765989 (E_RNA)
where:
Base-Base interactions energy: -171.935
where: short stacking energy: -80.254
Base-Backbone interact. energy: -0.089
local terms energy: -112.742265
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -205.417002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.417002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.417002 (E_RNA)
where:
Base-Base interactions energy: -98.669
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.365
local terms energy: -106.383367
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -155.667056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.667056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.667056 (E_RNA)
where:
Base-Base interactions energy: -47.016
where: short stacking energy: -40.604
Base-Backbone interact. energy: -0.817
local terms energy: -107.834504
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: 4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -160.287825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.287825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.287825 (E_RNA)
where:
Base-Base interactions energy: -57.864
where: short stacking energy: -42.799
Base-Backbone interact. energy: 0.240
local terms energy: -102.663685
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -559.155466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.155466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.155466 (E_RNA)
where:
Base-Base interactions energy: -365.634
where: short stacking energy: -172.901
Base-Backbone interact. energy: -0.364
local terms energy: -193.157162
where:
bonds (distance) C4'-P energy: -38.270
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -39.827
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -53.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -486.090489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.090489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.090489 (E_RNA)
where:
Base-Base interactions energy: -320.552
where: short stacking energy: -133.867
Base-Backbone interact. energy: -0.824
local terms energy: -164.714032
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -37.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -444.282146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.282146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.282146 (E_RNA)
where:
Base-Base interactions energy: -268.194
where: short stacking energy: -150.537
Base-Backbone interact. energy: -0.376
local terms energy: -175.711807
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -48.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -425.311021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.311021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.311021 (E_RNA)
where:
Base-Base interactions energy: -266.707
where: short stacking energy: -128.688
Base-Backbone interact. energy: -0.894
local terms energy: -157.709637
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -33.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -407.816119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.816119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.816119 (E_RNA)
where:
Base-Base interactions energy: -246.788
where: short stacking energy: -115.873
Base-Backbone interact. energy: -0.029
local terms energy: -160.998838
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -306.178088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.178088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.178088 (E_RNA)
where:
Base-Base interactions energy: -162.908
where: short stacking energy: -96.095
Base-Backbone interact. energy: -0.505
local terms energy: -142.764612
where:
bonds (distance) C4'-P energy: -32.957
bonds (distance) P-C4' energy: -33.004
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -364.541290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.541290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.541290 (E_RNA)
where:
Base-Base interactions energy: -222.850
where: short stacking energy: -117.189
Base-Backbone interact. energy: -0.338
local terms energy: -141.354192
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -29.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -167.366600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.366600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.366600 (E_RNA)
where:
Base-Base interactions energy: -51.434
where: short stacking energy: -47.930
Base-Backbone interact. energy: -0.235
local terms energy: -115.697873
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -162.368997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.368997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.368997 (E_RNA)
where:
Base-Base interactions energy: -52.723
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.503
local terms energy: -109.143382
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -151.789772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.789772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.789772 (E_RNA)
where:
Base-Base interactions energy: -52.961
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.943
local terms energy: -97.885911
where:
bonds (distance) C4'-P energy: -31.025
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: 5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -557.405633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.405633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.405633 (E_RNA)
where:
Base-Base interactions energy: -357.457
where: short stacking energy: -173.145
Base-Backbone interact. energy: -0.019
local terms energy: -199.928876
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -30.814
tors. eta vs tors. theta energy: -57.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -500.510612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.510612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.510612 (E_RNA)
where:
Base-Base interactions energy: -331.106
where: short stacking energy: -150.455
Base-Backbone interact. energy: 1.257
local terms energy: -170.661650
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -459.823322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.823322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.823322 (E_RNA)
where:
Base-Base interactions energy: -280.253
where: short stacking energy: -143.872
Base-Backbone interact. energy: -0.021
local terms energy: -179.548698
where:
bonds (distance) C4'-P energy: -39.601
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -46.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -437.812071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.812071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.812071 (E_RNA)
where:
Base-Base interactions energy: -260.526
where: short stacking energy: -139.657
Base-Backbone interact. energy: -0.724
local terms energy: -176.561344
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -45.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -342.742845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.742845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.742845 (E_RNA)
where:
Base-Base interactions energy: -185.786
where: short stacking energy: -119.770
Base-Backbone interact. energy: 0.351
local terms energy: -157.308193
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -35.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -380.414503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.414503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.414503 (E_RNA)
where:
Base-Base interactions energy: -245.414
where: short stacking energy: -122.478
Base-Backbone interact. energy: 2.863
local terms energy: -137.863497
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -41.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -372.756593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.756593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.756593 (E_RNA)
where:
Base-Base interactions energy: -232.832
where: short stacking energy: -103.730
Base-Backbone interact. energy: -0.230
local terms energy: -139.694083
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -186.156871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156871 (E_RNA)
where:
Base-Base interactions energy: -68.396
where: short stacking energy: -62.402
Base-Backbone interact. energy: 0.872
local terms energy: -118.632899
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -189.780376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.780376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.780376 (E_RNA)
where:
Base-Base interactions energy: -86.266
where: short stacking energy: -59.445
Base-Backbone interact. energy: -1.148
local terms energy: -102.367262
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -157.704566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.704566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.704566 (E_RNA)
where:
Base-Base interactions energy: -47.638
where: short stacking energy: -45.031
Base-Backbone interact. energy: -0.484
local terms energy: -109.582808
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -555.738901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.738901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.738901 (E_RNA)
where:
Base-Base interactions energy: -352.560
where: short stacking energy: -165.519
Base-Backbone interact. energy: -0.072
local terms energy: -203.107262
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -488.282710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.282710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.282710 (E_RNA)
where:
Base-Base interactions energy: -322.991
where: short stacking energy: -147.870
Base-Backbone interact. energy: -0.486
local terms energy: -164.805657
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -462.024535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.024535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.024535 (E_RNA)
where:
Base-Base interactions energy: -292.870
where: short stacking energy: -140.719
Base-Backbone interact. energy: 0.111
local terms energy: -169.265809
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -37.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -448.364387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.364387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.364387 (E_RNA)
where:
Base-Base interactions energy: -279.059
where: short stacking energy: -136.457
Base-Backbone interact. energy: -0.319
local terms energy: -168.985832
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -44.093
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -38.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -307.222177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.222177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.222177 (E_RNA)
where:
Base-Base interactions energy: -169.400
where: short stacking energy: -107.334
Base-Backbone interact. energy: -0.164
local terms energy: -137.658366
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -29.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -389.741406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.741406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.741406 (E_RNA)
where:
Base-Base interactions energy: -244.015
where: short stacking energy: -127.820
Base-Backbone interact. energy: -0.233
local terms energy: -145.492891
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -361.139811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.139811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.139811 (E_RNA)
where:
Base-Base interactions energy: -225.957
where: short stacking energy: -96.838
Base-Backbone interact. energy: 0.373
local terms energy: -135.556479
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -162.301154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.301154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.301154 (E_RNA)
where:
Base-Base interactions energy: -57.337
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.944
local terms energy: -104.020263
where:
bonds (distance) C4'-P energy: -31.301
bonds (distance) P-C4' energy: -33.180
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -154.635848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.635848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.635848 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.445
local terms energy: -104.509939
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -158.595997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.595997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.595997 (E_RNA)
where:
Base-Base interactions energy: -58.835
where: short stacking energy: -56.808
Base-Backbone interact. energy: 0.990
local terms energy: -100.751534
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -550.390414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.390414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.390414 (E_RNA)
where:
Base-Base interactions energy: -354.677
where: short stacking energy: -162.901
Base-Backbone interact. energy: -0.487
local terms energy: -195.225770
where:
bonds (distance) C4'-P energy: -36.165
bonds (distance) P-C4' energy: -39.855
flat angles C4'-P-C4' energy: -36.439
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -58.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -462.684867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.684867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.684867 (E_RNA)
where:
Base-Base interactions energy: -285.109
where: short stacking energy: -135.404
Base-Backbone interact. energy: -0.605
local terms energy: -176.970211
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -41.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -440.842822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.842822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.842822 (E_RNA)
where:
Base-Base interactions energy: -272.771
where: short stacking energy: -150.365
Base-Backbone interact. energy: -0.455
local terms energy: -167.616067
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -35.660
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -37.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -450.093462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.093462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.093462 (E_RNA)
where:
Base-Base interactions energy: -280.695
where: short stacking energy: -132.102
Base-Backbone interact. energy: -0.491
local terms energy: -168.907462
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -39.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -398.491743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.491743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.491743 (E_RNA)
where:
Base-Base interactions energy: -246.509
where: short stacking energy: -117.840
Base-Backbone interact. energy: -1.680
local terms energy: -150.302087
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -29.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -323.559122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.559122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.559122 (E_RNA)
where:
Base-Base interactions energy: -184.807
where: short stacking energy: -104.776
Base-Backbone interact. energy: -0.346
local terms energy: -138.406339
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -389.245159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.245159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.245159 (E_RNA)
where:
Base-Base interactions energy: -235.718
where: short stacking energy: -116.060
Base-Backbone interact. energy: -0.494
local terms energy: -153.032929
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -186.499186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.499186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.499186 (E_RNA)
where:
Base-Base interactions energy: -72.105
where: short stacking energy: -55.897
Base-Backbone interact. energy: 1.351
local terms energy: -115.744456
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -165.755756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.755756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.755756 (E_RNA)
where:
Base-Base interactions energy: -55.300
where: short stacking energy: -51.771
Base-Backbone interact. energy: -0.331
local terms energy: -110.125158
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -160.001438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.001438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.001438 (E_RNA)
where:
Base-Base interactions energy: -57.752
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.735
local terms energy: -101.514397
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -552.852647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.852647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.852647 (E_RNA)
where:
Base-Base interactions energy: -359.163
where: short stacking energy: -181.022
Base-Backbone interact. energy: -0.130
local terms energy: -193.559522
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -39.570
flat angles C4'-P-C4' energy: -40.511
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -52.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -483.439746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.439746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.439746 (E_RNA)
where:
Base-Base interactions energy: -311.634
where: short stacking energy: -147.601
Base-Backbone interact. energy: -1.318
local terms energy: -170.487648
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -450.479855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.479855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.479855 (E_RNA)
where:
Base-Base interactions energy: -281.309
where: short stacking energy: -139.268
Base-Backbone interact. energy: -0.050
local terms energy: -169.121019
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -426.571154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.571154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.571154 (E_RNA)
where:
Base-Base interactions energy: -270.181
where: short stacking energy: -139.269
Base-Backbone interact. energy: -0.151
local terms energy: -156.238641
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -42.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -397.778161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.778161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.778161 (E_RNA)
where:
Base-Base interactions energy: -243.215
where: short stacking energy: -113.586
Base-Backbone interact. energy: 2.131
local terms energy: -156.694227
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -33.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -393.685309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.685309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.685309 (E_RNA)
where:
Base-Base interactions energy: -252.432
where: short stacking energy: -119.922
Base-Backbone interact. energy: -0.281
local terms energy: -140.972936
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -280.868600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.868600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.868600 (E_RNA)
where:
Base-Base interactions energy: -164.237
where: short stacking energy: -92.529
Base-Backbone interact. energy: 3.037
local terms energy: -119.668296
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -190.299106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.299106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.299106 (E_RNA)
where:
Base-Base interactions energy: -72.979
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.487
local terms energy: -116.833380
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -207.267185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267185 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -43.246
Base-Backbone interact. energy: -0.717
local terms energy: -119.153104
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -168.958384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.958384 (E_RNA)
where:
Base-Base interactions energy: -60.645
where: short stacking energy: -51.855
Base-Backbone interact. energy: 0.428
local terms energy: -108.741685
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -36.936
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -551.854776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.854776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.854776 (E_RNA)
where:
Base-Base interactions energy: -349.301
where: short stacking energy: -163.519
Base-Backbone interact. energy: -0.292
local terms energy: -202.262705
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -60.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -487.762184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.762184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.762184 (E_RNA)
where:
Base-Base interactions energy: -316.625
where: short stacking energy: -144.795
Base-Backbone interact. energy: -0.127
local terms energy: -171.010565
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -44.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -442.516104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.516104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.516104 (E_RNA)
where:
Base-Base interactions energy: -278.279
where: short stacking energy: -137.191
Base-Backbone interact. energy: -1.275
local terms energy: -162.961770
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -436.167851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.167851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.167851 (E_RNA)
where:
Base-Base interactions energy: -273.972
where: short stacking energy: -145.565
Base-Backbone interact. energy: -0.116
local terms energy: -162.079684
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -390.267585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.267585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.267585 (E_RNA)
where:
Base-Base interactions energy: -246.400
where: short stacking energy: -123.467
Base-Backbone interact. energy: -0.253
local terms energy: -143.615153
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -33.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -385.878664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.878664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.878664 (E_RNA)
where:
Base-Base interactions energy: -228.905
where: short stacking energy: -107.338
Base-Backbone interact. energy: -0.187
local terms energy: -156.787069
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -27.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -310.397880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.397880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.397880 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -95.493
Base-Backbone interact. energy: -0.079
local terms energy: -126.075985
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -167.174777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.174777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.174777 (E_RNA)
where:
Base-Base interactions energy: -66.860
where: short stacking energy: -66.860
Base-Backbone interact. energy: 1.086
local terms energy: -101.400774
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -164.349295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.349295 (E_RNA)
where:
Base-Base interactions energy: -50.368
where: short stacking energy: -48.469
Base-Backbone interact. energy: -0.984
local terms energy: -112.997376
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -187.218865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.218865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.218865 (E_RNA)
where:
Base-Base interactions energy: -83.020
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.880
local terms energy: -103.319464
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -537.754016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.754016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.754016 (E_RNA)
where:
Base-Base interactions energy: -357.210
where: short stacking energy: -166.243
Base-Backbone interact. energy: -0.125
local terms energy: -180.418890
where:
bonds (distance) C4'-P energy: -31.922
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -50.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -496.497000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.497000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.497000 (E_RNA)
where:
Base-Base interactions energy: -318.577
where: short stacking energy: -150.739
Base-Backbone interact. energy: -0.466
local terms energy: -177.453503
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -448.556310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.556310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.556310 (E_RNA)
where:
Base-Base interactions energy: -282.956
where: short stacking energy: -131.496
Base-Backbone interact. energy: -2.084
local terms energy: -163.515991
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -456.689194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.689194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.689194 (E_RNA)
where:
Base-Base interactions energy: -275.677
where: short stacking energy: -138.292
Base-Backbone interact. energy: -0.572
local terms energy: -180.439904
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -40.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -410.803091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.803091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.803091 (E_RNA)
where:
Base-Base interactions energy: -238.679
where: short stacking energy: -126.093
Base-Backbone interact. energy: -0.192
local terms energy: -171.931431
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -40.954
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -39.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -363.640341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.640341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.640341 (E_RNA)
where:
Base-Base interactions energy: -232.546
where: short stacking energy: -113.750
Base-Backbone interact. energy: 0.172
local terms energy: -131.266845
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -275.255571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.255571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.255571 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -78.699
Base-Backbone interact. energy: -0.911
local terms energy: -127.745384
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -171.768778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.768778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.768778 (E_RNA)
where:
Base-Base interactions energy: -59.290
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.837
local terms energy: -111.641332
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -160.816858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.816858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.816858 (E_RNA)
where:
Base-Base interactions energy: -59.047
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.412
local terms energy: -101.357744
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -147.798040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.798040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.798040 (E_RNA)
where:
Base-Base interactions energy: -52.287
where: short stacking energy: -40.543
Base-Backbone interact. energy: -0.253
local terms energy: -95.258264
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: 8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -540.741732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.741732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.741732 (E_RNA)
where:
Base-Base interactions energy: -353.462
where: short stacking energy: -174.191
Base-Backbone interact. energy: -0.470
local terms energy: -186.809384
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -36.081
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -52.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -491.764035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.764035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.764035 (E_RNA)
where:
Base-Base interactions energy: -308.045
where: short stacking energy: -142.596
Base-Backbone interact. energy: -0.444
local terms energy: -183.275124
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -40.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -476.392502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.392502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.392502 (E_RNA)
where:
Base-Base interactions energy: -305.451
where: short stacking energy: -145.414
Base-Backbone interact. energy: 0.215
local terms energy: -171.157278
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -453.625214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.625214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.625214 (E_RNA)
where:
Base-Base interactions energy: -289.025
where: short stacking energy: -154.409
Base-Backbone interact. energy: -1.043
local terms energy: -163.557634
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -39.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -399.057753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.057753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.057753 (E_RNA)
where:
Base-Base interactions energy: -248.145
where: short stacking energy: -130.270
Base-Backbone interact. energy: -0.548
local terms energy: -150.364127
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -34.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -374.358068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.358068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.358068 (E_RNA)
where:
Base-Base interactions energy: -230.332
where: short stacking energy: -117.615
Base-Backbone interact. energy: -0.758
local terms energy: -143.268309
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -32.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -258.359506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.359506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.359506 (E_RNA)
where:
Base-Base interactions energy: -136.958
where: short stacking energy: -74.216
Base-Backbone interact. energy: 2.443
local terms energy: -123.844531
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -189.766295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.766295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.766295 (E_RNA)
where:
Base-Base interactions energy: -68.935
where: short stacking energy: -67.718
Base-Backbone interact. energy: 0.298
local terms energy: -121.129054
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -206.222603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.222603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.222603 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -56.069
Base-Backbone interact. energy: -0.439
local terms energy: -125.051188
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -169.514193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.514193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.514193 (E_RNA)
where:
Base-Base interactions energy: -74.090
where: short stacking energy: -55.801
Base-Backbone interact. energy: 0.991
local terms energy: -96.415100
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -540.156637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.156637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.156637 (E_RNA)
where:
Base-Base interactions energy: -365.719
where: short stacking energy: -169.437
Base-Backbone interact. energy: -0.133
local terms energy: -174.305237
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -34.789
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -49.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -473.065044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.065044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.065044 (E_RNA)
where:
Base-Base interactions energy: -298.605
where: short stacking energy: -147.406
Base-Backbone interact. energy: -0.238
local terms energy: -174.221377
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -36.115
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -43.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -482.635436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.635436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.635436 (E_RNA)
where:
Base-Base interactions energy: -312.453
where: short stacking energy: -155.474
Base-Backbone interact. energy: -0.031
local terms energy: -170.151087
where:
bonds (distance) C4'-P energy: -29.437
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -46.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -428.344340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.344340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.344340 (E_RNA)
where:
Base-Base interactions energy: -255.002
where: short stacking energy: -125.365
Base-Backbone interact. energy: 0.356
local terms energy: -173.698597
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -38.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -419.431611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.431611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.431611 (E_RNA)
where:
Base-Base interactions energy: -252.576
where: short stacking energy: -120.751
Base-Backbone interact. energy: -0.930
local terms energy: -165.925469
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -29.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -374.601748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.601748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.601748 (E_RNA)
where:
Base-Base interactions energy: -232.870
where: short stacking energy: -111.644
Base-Backbone interact. energy: -0.336
local terms energy: -141.395237
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -27.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -257.605557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.605557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.605557 (E_RNA)
where:
Base-Base interactions energy: -149.035
where: short stacking energy: -83.999
Base-Backbone interact. energy: 5.303
local terms energy: -113.873059
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -194.355576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355576 (E_RNA)
where:
Base-Base interactions energy: -72.655
where: short stacking energy: -59.521
Base-Backbone interact. energy: 0.170
local terms energy: -121.871122
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -161.694488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.694488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.694488 (E_RNA)
where:
Base-Base interactions energy: -63.429
where: short stacking energy: -47.203
Base-Backbone interact. energy: 0.096
local terms energy: -98.361914
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: 3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -165.800140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.800140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.800140 (E_RNA)
where:
Base-Base interactions energy: -50.896
where: short stacking energy: -47.909
Base-Backbone interact. energy: -0.557
local terms energy: -114.346952
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -548.786187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.786187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.786187 (E_RNA)
where:
Base-Base interactions energy: -364.875
where: short stacking energy: -161.491
Base-Backbone interact. energy: -0.747
local terms energy: -183.164692
where:
bonds (distance) C4'-P energy: -37.971
bonds (distance) P-C4' energy: -32.555
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -46.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -500.395988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.395988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.395988 (E_RNA)
where:
Base-Base interactions energy: -328.566
where: short stacking energy: -151.532
Base-Backbone interact. energy: -0.620
local terms energy: -171.210273
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -36.913
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -470.936604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.936604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.936604 (E_RNA)
where:
Base-Base interactions energy: -295.995
where: short stacking energy: -152.989
Base-Backbone interact. energy: -0.109
local terms energy: -174.833052
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -44.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -494.416520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.416520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.416520 (E_RNA)
where:
Base-Base interactions energy: -317.994
where: short stacking energy: -164.680
Base-Backbone interact. energy: -0.046
local terms energy: -176.376344
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -390.198422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.198422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.198422 (E_RNA)
where:
Base-Base interactions energy: -244.954
where: short stacking energy: -108.585
Base-Backbone interact. energy: -1.067
local terms energy: -144.176869
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -30.191
tors. eta vs tors. theta energy: -31.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -403.119466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.119466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.119466 (E_RNA)
where:
Base-Base interactions energy: -261.149
where: short stacking energy: -124.699
Base-Backbone interact. energy: -0.240
local terms energy: -141.730829
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -34.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -290.860756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.860756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.860756 (E_RNA)
where:
Base-Base interactions energy: -165.051
where: short stacking energy: -99.243
Base-Backbone interact. energy: -0.041
local terms energy: -125.768695
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -179.294953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.294953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.294953 (E_RNA)
where:
Base-Base interactions energy: -67.148
where: short stacking energy: -60.038
Base-Backbone interact. energy: 2.571
local terms energy: -114.717859
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -173.794776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.794776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.794776 (E_RNA)
where:
Base-Base interactions energy: -67.780
where: short stacking energy: -51.640
Base-Backbone interact. energy: 0.539
local terms energy: -106.553941
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -156.169716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.169716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.169716 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -50.491
Base-Backbone interact. energy: 1.346
local terms energy: -107.024773
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -529.017167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.017167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.017167 (E_RNA)
where:
Base-Base interactions energy: -345.535
where: short stacking energy: -159.924
Base-Backbone interact. energy: 0.182
local terms energy: -183.663770
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -37.197
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -49.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -518.443717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.443717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.443717 (E_RNA)
where:
Base-Base interactions energy: -336.175
where: short stacking energy: -171.460
Base-Backbone interact. energy: -0.113
local terms energy: -182.155873
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -35.060
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -49.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -467.794725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.794725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.794725 (E_RNA)
where:
Base-Base interactions energy: -296.957
where: short stacking energy: -125.540
Base-Backbone interact. energy: -0.385
local terms energy: -170.452499
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -38.304
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -37.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -510.255596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.255596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.255596 (E_RNA)
where:
Base-Base interactions energy: -346.025
where: short stacking energy: -168.930
Base-Backbone interact. energy: -0.178
local terms energy: -164.053049
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -45.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -392.461487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.461487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.461487 (E_RNA)
where:
Base-Base interactions energy: -242.277
where: short stacking energy: -116.699
Base-Backbone interact. energy: 0.387
local terms energy: -150.571045
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -31.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -404.860286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.860286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.860286 (E_RNA)
where:
Base-Base interactions energy: -257.775
where: short stacking energy: -130.225
Base-Backbone interact. energy: -1.843
local terms energy: -145.242936
where:
bonds (distance) C4'-P energy: -29.794
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -33.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -272.844785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.844785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.844785 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -68.659
Base-Backbone interact. energy: 0.955
local terms energy: -139.592278
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -160.254884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.254884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.254884 (E_RNA)
where:
Base-Base interactions energy: -60.053
where: short stacking energy: -61.460
Base-Backbone interact. energy: 0.162
local terms energy: -100.363724
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -170.668957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.668957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.668957 (E_RNA)
where:
Base-Base interactions energy: -64.356
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.668
local terms energy: -105.644481
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -193.185692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.185692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.185692 (E_RNA)
where:
Base-Base interactions energy: -73.860
where: short stacking energy: -65.307
Base-Backbone interact. energy: 0.055
local terms energy: -119.381031
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -552.861129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.861129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.861129 (E_RNA)
where:
Base-Base interactions energy: -362.076
where: short stacking energy: -179.679
Base-Backbone interact. energy: -0.367
local terms energy: -190.418456
where:
bonds (distance) C4'-P energy: -35.101
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -40.864
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -506.554687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.554687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.554687 (E_RNA)
where:
Base-Base interactions energy: -317.517
where: short stacking energy: -166.706
Base-Backbone interact. energy: -0.002
local terms energy: -189.035689
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -49.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -514.935911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.935911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.935911 (E_RNA)
where:
Base-Base interactions energy: -336.525
where: short stacking energy: -167.319
Base-Backbone interact. energy: 0.247
local terms energy: -178.657458
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -50.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -452.060971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.060971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.060971 (E_RNA)
where:
Base-Base interactions energy: -296.594
where: short stacking energy: -126.682
Base-Backbone interact. energy: -0.971
local terms energy: -154.495609
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -38.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -385.851123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.851123 (E_RNA)
where:
Base-Base interactions energy: -249.491
where: short stacking energy: -118.974
Base-Backbone interact. energy: -0.227
local terms energy: -136.133614
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -369.141436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.141436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.141436 (E_RNA)
where:
Base-Base interactions energy: -212.545
where: short stacking energy: -110.307
Base-Backbone interact. energy: -0.141
local terms energy: -156.456230
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -28.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -277.959524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.959524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.959524 (E_RNA)
where:
Base-Base interactions energy: -160.320
where: short stacking energy: -86.234
Base-Backbone interact. energy: -0.051
local terms energy: -117.588433
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -177.968194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.968194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.968194 (E_RNA)
where:
Base-Base interactions energy: -53.518
where: short stacking energy: -52.585
Base-Backbone interact. energy: -0.568
local terms energy: -123.881394
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -207.139934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.139934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.139934 (E_RNA)
where:
Base-Base interactions energy: -102.557
where: short stacking energy: -63.221
Base-Backbone interact. energy: 3.636
local terms energy: -108.219080
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -164.124692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.124692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.124692 (E_RNA)
where:
Base-Base interactions energy: -64.232
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.384
local terms energy: -99.508853
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -551.986934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.986934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.986934 (E_RNA)
where:
Base-Base interactions energy: -359.625
where: short stacking energy: -177.805
Base-Backbone interact. energy: -0.487
local terms energy: -191.875408
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -525.060682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.060682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.060682 (E_RNA)
where:
Base-Base interactions energy: -343.027
where: short stacking energy: -157.048
Base-Backbone interact. energy: -0.034
local terms energy: -181.999300
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -46.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -499.422042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.422042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.422042 (E_RNA)
where:
Base-Base interactions energy: -317.579
where: short stacking energy: -161.882
Base-Backbone interact. energy: -0.124
local terms energy: -181.718752
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -54.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -445.022446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.022446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.022446 (E_RNA)
where:
Base-Base interactions energy: -286.705
where: short stacking energy: -130.246
Base-Backbone interact. energy: -1.152
local terms energy: -157.164878
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -37.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -391.363894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.363894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.363894 (E_RNA)
where:
Base-Base interactions energy: -245.128
where: short stacking energy: -115.965
Base-Backbone interact. energy: -0.393
local terms energy: -145.843414
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -358.545778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.545778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.545778 (E_RNA)
where:
Base-Base interactions energy: -199.731
where: short stacking energy: -103.588
Base-Backbone interact. energy: -0.226
local terms energy: -158.588976
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -32.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -280.984162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.984162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.984162 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -85.989
Base-Backbone interact. energy: 0.312
local terms energy: -138.521877
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -214.208303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.208303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.208303 (E_RNA)
where:
Base-Base interactions energy: -106.433
where: short stacking energy: -54.772
Base-Backbone interact. energy: -0.962
local terms energy: -106.813224
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: 7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -171.207048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.207048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.207048 (E_RNA)
where:
Base-Base interactions energy: -73.575
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.766
local terms energy: -96.865989
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: 6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -158.422923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.422923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.422923 (E_RNA)
where:
Base-Base interactions energy: -64.623
where: short stacking energy: -57.269
Base-Backbone interact. energy: 1.135
local terms energy: -94.934714
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -562.565028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.565028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.565028 (E_RNA)
where:
Base-Base interactions energy: -364.845
where: short stacking energy: -169.523
Base-Backbone interact. energy: -0.059
local terms energy: -197.660857
where:
bonds (distance) C4'-P energy: -34.266
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -42.758
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -53.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -533.432464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.432464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.432464 (E_RNA)
where:
Base-Base interactions energy: -341.772
where: short stacking energy: -171.169
Base-Backbone interact. energy: 0.570
local terms energy: -192.230503
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -54.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -503.272955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.272955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.272955 (E_RNA)
where:
Base-Base interactions energy: -318.672
where: short stacking energy: -157.108
Base-Backbone interact. energy: -0.230
local terms energy: -184.370695
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -455.582264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.582264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.582264 (E_RNA)
where:
Base-Base interactions energy: -289.819
where: short stacking energy: -139.773
Base-Backbone interact. energy: -0.842
local terms energy: -164.921410
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -403.121252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.121252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.121252 (E_RNA)
where:
Base-Base interactions energy: -245.147
where: short stacking energy: -110.833
Base-Backbone interact. energy: -0.509
local terms energy: -157.465311
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -375.702073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.702073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.702073 (E_RNA)
where:
Base-Base interactions energy: -220.369
where: short stacking energy: -114.759
Base-Backbone interact. energy: -1.225
local terms energy: -154.107942
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -35.671
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -269.649779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.649779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.649779 (E_RNA)
where:
Base-Base interactions energy: -157.722
where: short stacking energy: -86.070
Base-Backbone interact. energy: -0.468
local terms energy: -111.459774
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -226.374284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.374284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.374284 (E_RNA)
where:
Base-Base interactions energy: -106.877
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.640
local terms energy: -118.857838
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -208.424378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.424378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.424378 (E_RNA)
where:
Base-Base interactions energy: -85.214
where: short stacking energy: -81.042
Base-Backbone interact. energy: -0.955
local terms energy: -122.255486
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -155.712443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.712443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.712443 (E_RNA)
where:
Base-Base interactions energy: -45.220
where: short stacking energy: -40.051
Base-Backbone interact. energy: -0.281
local terms energy: -110.211428
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -44.742
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -558.275985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.275985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.275985 (E_RNA)
where:
Base-Base interactions energy: -363.596
where: short stacking energy: -170.823
Base-Backbone interact. energy: -0.787
local terms energy: -193.892831
where:
bonds (distance) C4'-P energy: -36.757
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -42.146
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -51.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -554.586854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.586854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.586854 (E_RNA)
where:
Base-Base interactions energy: -377.284
where: short stacking energy: -190.287
Base-Backbone interact. energy: -0.067
local terms energy: -177.234884
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -58.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -515.038958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.038958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.038958 (E_RNA)
where:
Base-Base interactions energy: -337.888
where: short stacking energy: -161.069
Base-Backbone interact. energy: -1.013
local terms energy: -176.137474
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -51.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -450.909735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.909735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.909735 (E_RNA)
where:
Base-Base interactions energy: -291.884
where: short stacking energy: -134.767
Base-Backbone interact. energy: -0.685
local terms energy: -158.340763
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -36.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -386.243276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.243276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.243276 (E_RNA)
where:
Base-Base interactions energy: -238.117
where: short stacking energy: -121.208
Base-Backbone interact. energy: -1.544
local terms energy: -146.582592
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -362.924469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.924469 (E_RNA)
where:
Base-Base interactions energy: -219.672
where: short stacking energy: -117.105
Base-Backbone interact. energy: -0.517
local terms energy: -142.735741
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -290.665330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.665330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.665330 (E_RNA)
where:
Base-Base interactions energy: -173.231
where: short stacking energy: -75.928
Base-Backbone interact. energy: -0.318
local terms energy: -117.116096
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -240.510775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.510775 (E_RNA)
where:
Base-Base interactions energy: -105.730
where: short stacking energy: -62.789
Base-Backbone interact. energy: 2.105
local terms energy: -136.885320
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -181.399721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.399721 (E_RNA)
where:
Base-Base interactions energy: -79.955
where: short stacking energy: -73.960
Base-Backbone interact. energy: 2.100
local terms energy: -103.545236
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -160.090322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.090322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.090322 (E_RNA)
where:
Base-Base interactions energy: -62.472
where: short stacking energy: -47.173
Base-Backbone interact. energy: -0.029
local terms energy: -97.590020
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -582.924488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.924488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.924488 (E_RNA)
where:
Base-Base interactions energy: -387.421
where: short stacking energy: -193.506
Base-Backbone interact. energy: 0.728
local terms energy: -196.230849
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -61.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -550.155837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.155837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.155837 (E_RNA)
where:
Base-Base interactions energy: -361.550
where: short stacking energy: -175.209
Base-Backbone interact. energy: -0.660
local terms energy: -187.945571
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -55.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -505.192118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.192118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.192118 (E_RNA)
where:
Base-Base interactions energy: -328.097
where: short stacking energy: -155.772
Base-Backbone interact. energy: -0.104
local terms energy: -176.990694
where:
bonds (distance) C4'-P energy: -33.795
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -54.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -431.750135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.750135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.750135 (E_RNA)
where:
Base-Base interactions energy: -268.274
where: short stacking energy: -124.053
Base-Backbone interact. energy: -0.949
local terms energy: -162.527217
where:
bonds (distance) C4'-P energy: -38.558
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -37.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -409.726551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.726551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.726551 (E_RNA)
where:
Base-Base interactions energy: -255.041
where: short stacking energy: -128.092
Base-Backbone interact. energy: -0.313
local terms energy: -154.372986
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -378.571998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.571998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.571998 (E_RNA)
where:
Base-Base interactions energy: -229.460
where: short stacking energy: -124.078
Base-Backbone interact. energy: -0.956
local terms energy: -148.156319
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -37.875
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -322.067384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.067384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.067384 (E_RNA)
where:
Base-Base interactions energy: -201.568
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.627
local terms energy: -119.872064
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -262.181606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.181606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.181606 (E_RNA)
where:
Base-Base interactions energy: -142.874
where: short stacking energy: -72.191
Base-Backbone interact. energy: -1.765
local terms energy: -117.542099
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -172.835577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.835577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.835577 (E_RNA)
where:
Base-Base interactions energy: -67.726
where: short stacking energy: -67.726
Base-Backbone interact. energy: -0.329
local terms energy: -104.780510
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -148.793551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.793551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.793551 (E_RNA)
where:
Base-Base interactions energy: -47.686
where: short stacking energy: -37.880
Base-Backbone interact. energy: -1.309
local terms energy: -99.798854
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -588.972690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.972690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.972690 (E_RNA)
where:
Base-Base interactions energy: -384.354
where: short stacking energy: -190.291
Base-Backbone interact. energy: -0.198
local terms energy: -204.421541
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -58.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -535.746869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.746869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.746869 (E_RNA)
where:
Base-Base interactions energy: -359.065
where: short stacking energy: -166.353
Base-Backbone interact. energy: -1.999
local terms energy: -174.682560
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -38.270
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -496.024844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.024844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.024844 (E_RNA)
where:
Base-Base interactions energy: -312.028
where: short stacking energy: -147.215
Base-Backbone interact. energy: -0.327
local terms energy: -183.670277
where:
bonds (distance) C4'-P energy: -40.033
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -50.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -433.824657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.824657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.824657 (E_RNA)
where:
Base-Base interactions energy: -274.091
where: short stacking energy: -138.270
Base-Backbone interact. energy: -1.354
local terms energy: -158.379842
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -37.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -403.780404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.780404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.780404 (E_RNA)
where:
Base-Base interactions energy: -256.138
where: short stacking energy: -121.458
Base-Backbone interact. energy: 2.638
local terms energy: -150.281130
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -369.385378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.385378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.385378 (E_RNA)
where:
Base-Base interactions energy: -217.037
where: short stacking energy: -109.362
Base-Backbone interact. energy: -0.309
local terms energy: -152.040282
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -324.923216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.923216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.923216 (E_RNA)
where:
Base-Base interactions energy: -189.963
where: short stacking energy: -108.830
Base-Backbone interact. energy: -0.605
local terms energy: -134.355353
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -258.624477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.624477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.624477 (E_RNA)
where:
Base-Base interactions energy: -142.370
where: short stacking energy: -79.810
Base-Backbone interact. energy: 2.614
local terms energy: -118.868703
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -154.309627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.309627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.309627 (E_RNA)
where:
Base-Base interactions energy: -44.498
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.941
local terms energy: -108.870282
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -160.935703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.935703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.935703 (E_RNA)
where:
Base-Base interactions energy: -65.503
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.969
local terms energy: -94.463424
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -574.827053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.827053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.827053 (E_RNA)
where:
Base-Base interactions energy: -380.194
where: short stacking energy: -177.378
Base-Backbone interact. energy: -0.207
local terms energy: -194.425926
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -57.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -553.363030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.363030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.363030 (E_RNA)
where:
Base-Base interactions energy: -373.792
where: short stacking energy: -181.096
Base-Backbone interact. energy: -0.114
local terms energy: -179.456348
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -56.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -514.352388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.352388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.352388 (E_RNA)
where:
Base-Base interactions energy: -327.640
where: short stacking energy: -169.235
Base-Backbone interact. energy: -0.336
local terms energy: -186.376924
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -40.200
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -48.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -437.238191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.238191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.238191 (E_RNA)
where:
Base-Base interactions energy: -276.885
where: short stacking energy: -123.170
Base-Backbone interact. energy: -0.524
local terms energy: -159.829143
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -34.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -392.293174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.293174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.293174 (E_RNA)
where:
Base-Base interactions energy: -248.863
where: short stacking energy: -126.107
Base-Backbone interact. energy: 1.830
local terms energy: -145.260281
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -375.751604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.751604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.751604 (E_RNA)
where:
Base-Base interactions energy: -238.278
where: short stacking energy: -128.146
Base-Backbone interact. energy: -1.009
local terms energy: -136.464604
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -33.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -301.925987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.925987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.925987 (E_RNA)
where:
Base-Base interactions energy: -174.445
where: short stacking energy: -88.197
Base-Backbone interact. energy: 1.040
local terms energy: -128.521307
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -35.993
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -252.573437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.573437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.573437 (E_RNA)
where:
Base-Base interactions energy: -129.780
where: short stacking energy: -66.489
Base-Backbone interact. energy: -0.910
local terms energy: -121.883270
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -191.350126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.350126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.350126 (E_RNA)
where:
Base-Base interactions energy: -85.187
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.753
local terms energy: -105.409611
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -164.308683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.308683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.308683 (E_RNA)
where:
Base-Base interactions energy: -71.094
where: short stacking energy: -55.795
Base-Backbone interact. energy: -1.242
local terms energy: -91.972048
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -580.337410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.337410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.337410 (E_RNA)
where:
Base-Base interactions energy: -377.722
where: short stacking energy: -191.017
Base-Backbone interact. energy: -0.018
local terms energy: -202.597638
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -58.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -564.987294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.987294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.987294 (E_RNA)
where:
Base-Base interactions energy: -373.354
where: short stacking energy: -177.498
Base-Backbone interact. energy: 0.037
local terms energy: -191.669699
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -33.549
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -58.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -455.854274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.854274 (E_RNA)
where:
Base-Base interactions energy: -293.622
where: short stacking energy: -144.769
Base-Backbone interact. energy: -0.195
local terms energy: -162.037541
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -421.872053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.872053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.872053 (E_RNA)
where:
Base-Base interactions energy: -264.772
where: short stacking energy: -115.549
Base-Backbone interact. energy: -0.645
local terms energy: -156.454806
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -408.055020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.055020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.055020 (E_RNA)
where:
Base-Base interactions energy: -256.634
where: short stacking energy: -125.185
Base-Backbone interact. energy: -0.249
local terms energy: -151.171562
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -368.906687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.906687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.906687 (E_RNA)
where:
Base-Base interactions energy: -223.286
where: short stacking energy: -119.356
Base-Backbone interact. energy: 0.168
local terms energy: -145.788899
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -31.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -312.391093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.391093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.391093 (E_RNA)
where:
Base-Base interactions energy: -180.052
where: short stacking energy: -83.103
Base-Backbone interact. energy: -0.414
local terms energy: -131.925417
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -264.049482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.049482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.049482 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.314
local terms energy: -122.160081
where:
bonds (distance) C4'-P energy: -35.147
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -171.911936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.911936 (E_RNA)
where:
Base-Base interactions energy: -56.638
where: short stacking energy: -41.154
Base-Backbone interact. energy: -2.046
local terms energy: -113.227955
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -154.470905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.470905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.470905 (E_RNA)
where:
Base-Base interactions energy: -58.870
where: short stacking energy: -56.296
Base-Backbone interact. energy: 0.498
local terms energy: -96.098638
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -570.098045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.098045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.098045 (E_RNA)
where:
Base-Base interactions energy: -385.563
where: short stacking energy: -181.353
Base-Backbone interact. energy: -0.007
local terms energy: -184.528723
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -38.311
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -53.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -549.938943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.938943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.938943 (E_RNA)
where:
Base-Base interactions energy: -362.234
where: short stacking energy: -170.371
Base-Backbone interact. energy: 0.336
local terms energy: -188.041148
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -447.756787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.756787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.756787 (E_RNA)
where:
Base-Base interactions energy: -283.146
where: short stacking energy: -130.672
Base-Backbone interact. energy: -0.257
local terms energy: -164.352964
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -428.988252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.988252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.988252 (E_RNA)
where:
Base-Base interactions energy: -268.707
where: short stacking energy: -140.887
Base-Backbone interact. energy: 1.451
local terms energy: -161.732754
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -34.337
flat angles C4'-P-C4' energy: -41.289
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -32.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -400.281755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.281755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.281755 (E_RNA)
where:
Base-Base interactions energy: -249.861
where: short stacking energy: -124.393
Base-Backbone interact. energy: -0.669
local terms energy: -149.752204
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -25.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -363.603221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.603221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.603221 (E_RNA)
where:
Base-Base interactions energy: -217.914
where: short stacking energy: -121.478
Base-Backbone interact. energy: -0.817
local terms energy: -144.872576
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -34.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -303.753024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.753024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.753024 (E_RNA)
where:
Base-Base interactions energy: -174.150
where: short stacking energy: -85.981
Base-Backbone interact. energy: -0.109
local terms energy: -129.494172
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -251.102234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.102234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.102234 (E_RNA)
where:
Base-Base interactions energy: -132.670
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.615
local terms energy: -117.816888
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -183.039491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.039491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.039491 (E_RNA)
where:
Base-Base interactions energy: -61.349
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.388
local terms energy: -121.302797
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -162.009841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.009841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.009841 (E_RNA)
where:
Base-Base interactions energy: -56.612
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.669
local terms energy: -104.729479
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: 7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -574.247883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.247883 (E_RNA)
where:
Base-Base interactions energy: -379.407
where: short stacking energy: -180.913
Base-Backbone interact. energy: -0.466
local terms energy: -194.374783
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -40.399
flat angles C4'-P-C4' energy: -43.102
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -52.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -557.443012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.443012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.443012 (E_RNA)
where:
Base-Base interactions energy: -368.424
where: short stacking energy: -181.220
Base-Backbone interact. energy: -0.020
local terms energy: -188.999362
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -36.690
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -54.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -473.128589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.128589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.128589 (E_RNA)
where:
Base-Base interactions energy: -304.234
where: short stacking energy: -156.818
Base-Backbone interact. energy: -0.767
local terms energy: -168.126697
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -409.985504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.985504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.985504 (E_RNA)
where:
Base-Base interactions energy: -250.103
where: short stacking energy: -113.663
Base-Backbone interact. energy: -1.311
local terms energy: -158.571859
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -32.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -422.937781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.937781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.937781 (E_RNA)
where:
Base-Base interactions energy: -279.529
where: short stacking energy: -114.412
Base-Backbone interact. energy: -0.663
local terms energy: -142.745519
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -368.786762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.786762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.786762 (E_RNA)
where:
Base-Base interactions energy: -223.247
where: short stacking energy: -115.272
Base-Backbone interact. energy: 0.666
local terms energy: -146.205739
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -309.974605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.974605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.974605 (E_RNA)
where:
Base-Base interactions energy: -184.883
where: short stacking energy: -90.159
Base-Backbone interact. energy: 1.590
local terms energy: -126.681508
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -243.571398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.571398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.571398 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -75.601
Base-Backbone interact. energy: 0.150
local terms energy: -123.331523
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -170.295669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.295669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.295669 (E_RNA)
where:
Base-Base interactions energy: -64.693
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.011
local terms energy: -105.591020
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -162.100847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.100847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.100847 (E_RNA)
where:
Base-Base interactions energy: -62.813
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.610
local terms energy: -98.677888
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -586.818413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.818413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.818413 (E_RNA)
where:
Base-Base interactions energy: -384.491
where: short stacking energy: -186.085
Base-Backbone interact. energy: -0.212
local terms energy: -202.115534
where:
bonds (distance) C4'-P energy: -33.833
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -41.596
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -60.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -547.408252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.408252 (E_RNA)
where:
Base-Base interactions energy: -359.890
where: short stacking energy: -188.643
Base-Backbone interact. energy: -0.336
local terms energy: -187.183103
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -59.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -496.086690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.086690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.086690 (E_RNA)
where:
Base-Base interactions energy: -318.578
where: short stacking energy: -167.185
Base-Backbone interact. energy: -0.214
local terms energy: -177.294455
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -52.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -402.527455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.527455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.527455 (E_RNA)
where:
Base-Base interactions energy: -248.357
where: short stacking energy: -130.646
Base-Backbone interact. energy: -0.589
local terms energy: -153.581102
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -31.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -414.986637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.986637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.986637 (E_RNA)
where:
Base-Base interactions energy: -267.848
where: short stacking energy: -123.001
Base-Backbone interact. energy: -0.960
local terms energy: -146.178461
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -364.970275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.970275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.970275 (E_RNA)
where:
Base-Base interactions energy: -228.895
where: short stacking energy: -128.595
Base-Backbone interact. energy: -0.998
local terms energy: -135.077130
where:
bonds (distance) C4'-P energy: -25.536
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -343.098883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.098883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.098883 (E_RNA)
where:
Base-Base interactions energy: -200.882
where: short stacking energy: -99.589
Base-Backbone interact. energy: 0.188
local terms energy: -142.404901
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -32.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -268.731324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.731324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.731324 (E_RNA)
where:
Base-Base interactions energy: -131.870
where: short stacking energy: -87.590
Base-Backbone interact. energy: 0.893
local terms energy: -137.754319
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -168.192373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.192373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.192373 (E_RNA)
where:
Base-Base interactions energy: -59.863
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.661
local terms energy: -107.668318
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -172.222730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.222730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.222730 (E_RNA)
where:
Base-Base interactions energy: -63.293
where: short stacking energy: -56.604
Base-Backbone interact. energy: -1.130
local terms energy: -107.800186
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -576.882058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.882058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.882058 (E_RNA)
where:
Base-Base interactions energy: -380.492
where: short stacking energy: -187.379
Base-Backbone interact. energy: 1.121
local terms energy: -197.511422
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -37.256
flat angles C4'-P-C4' energy: -38.940
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -57.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -547.832904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.832904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.832904 (E_RNA)
where:
Base-Base interactions energy: -364.945
where: short stacking energy: -169.792
Base-Backbone interact. energy: 0.448
local terms energy: -183.335595
where:
bonds (distance) C4'-P energy: -35.665
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -54.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -448.132976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.132976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.132976 (E_RNA)
where:
Base-Base interactions energy: -284.581
where: short stacking energy: -142.617
Base-Backbone interact. energy: 0.849
local terms energy: -164.400984
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -45.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -420.692308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.692308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.692308 (E_RNA)
where:
Base-Base interactions energy: -267.350
where: short stacking energy: -138.240
Base-Backbone interact. energy: -0.526
local terms energy: -152.816659
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -405.151761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.151761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.151761 (E_RNA)
where:
Base-Base interactions energy: -254.097
where: short stacking energy: -124.178
Base-Backbone interact. energy: -0.790
local terms energy: -150.264720
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -34.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -373.274971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.274971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.274971 (E_RNA)
where:
Base-Base interactions energy: -224.764
where: short stacking energy: -118.527
Base-Backbone interact. energy: -0.604
local terms energy: -147.906797
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -361.813387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.813387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.813387 (E_RNA)
where:
Base-Base interactions energy: -220.812
where: short stacking energy: -118.566
Base-Backbone interact. energy: -1.106
local terms energy: -139.895716
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -306.859036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.859036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.859036 (E_RNA)
where:
Base-Base interactions energy: -183.887
where: short stacking energy: -91.660
Base-Backbone interact. energy: -0.633
local terms energy: -122.338194
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -173.519410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.519410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.519410 (E_RNA)
where:
Base-Base interactions energy: -54.293
where: short stacking energy: -42.539
Base-Backbone interact. energy: -0.118
local terms energy: -119.108588
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -178.085903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.085903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.085903 (E_RNA)
where:
Base-Base interactions energy: -72.045
where: short stacking energy: -62.830
Base-Backbone interact. energy: 0.240
local terms energy: -106.280241
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -587.772139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.772139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.772139 (E_RNA)
where:
Base-Base interactions energy: -384.283
where: short stacking energy: -184.353
Base-Backbone interact. energy: -0.207
local terms energy: -203.282765
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -36.963
flat angles C4'-P-C4' energy: -41.499
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -57.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -545.451168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.451168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.451168 (E_RNA)
where:
Base-Base interactions energy: -363.055
where: short stacking energy: -170.845
Base-Backbone interact. energy: -0.111
local terms energy: -182.285510
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -57.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -449.719730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.719730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.719730 (E_RNA)
where:
Base-Base interactions energy: -286.189
where: short stacking energy: -157.029
Base-Backbone interact. energy: -0.549
local terms energy: -162.982350
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -30.368
tors. eta vs tors. theta energy: -42.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -448.284327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.284327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.284327 (E_RNA)
where:
Base-Base interactions energy: -287.103
where: short stacking energy: -132.544
Base-Backbone interact. energy: -0.201
local terms energy: -160.980456
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -35.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -411.970645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.970645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.970645 (E_RNA)
where:
Base-Base interactions energy: -265.641
where: short stacking energy: -126.221
Base-Backbone interact. energy: -0.328
local terms energy: -146.001155
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -29.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -388.313354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.313354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.313354 (E_RNA)
where:
Base-Base interactions energy: -242.844
where: short stacking energy: -128.578
Base-Backbone interact. energy: 0.330
local terms energy: -145.799085
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -361.294379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.294379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.294379 (E_RNA)
where:
Base-Base interactions energy: -219.263
where: short stacking energy: -113.598
Base-Backbone interact. energy: -0.353
local terms energy: -141.678748
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -30.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -282.079658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.079658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.079658 (E_RNA)
where:
Base-Base interactions energy: -158.471
where: short stacking energy: -85.319
Base-Backbone interact. energy: -0.461
local terms energy: -123.147073
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -161.253757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.253757 (E_RNA)
where:
Base-Base interactions energy: -55.849
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.272
local terms energy: -105.132712
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -147.606098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.606098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.606098 (E_RNA)
where:
Base-Base interactions energy: -47.965
where: short stacking energy: -47.933
Base-Backbone interact. energy: 0.622
local terms energy: -100.263706
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -576.848406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.848406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.848406 (E_RNA)
where:
Base-Base interactions energy: -384.472
where: short stacking energy: -184.983
Base-Backbone interact. energy: -0.481
local terms energy: -191.895111
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -59.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -518.381882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.381882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.381882 (E_RNA)
where:
Base-Base interactions energy: -330.212
where: short stacking energy: -159.344
Base-Backbone interact. energy: -0.026
local terms energy: -188.143483
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -50.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -446.643961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.643961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.643961 (E_RNA)
where:
Base-Base interactions energy: -269.299
where: short stacking energy: -145.826
Base-Backbone interact. energy: 0.154
local terms energy: -177.498674
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -26.728
tors. eta vs tors. theta energy: -40.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -437.182258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.182258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.182258 (E_RNA)
where:
Base-Base interactions energy: -280.763
where: short stacking energy: -132.927
Base-Backbone interact. energy: 0.297
local terms energy: -156.716280
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -35.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -412.631218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.631218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.631218 (E_RNA)
where:
Base-Base interactions energy: -258.769
where: short stacking energy: -106.003
Base-Backbone interact. energy: 5.001
local terms energy: -158.863387
where:
bonds (distance) C4'-P energy: -35.137
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -36.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -323.345119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.345119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.345119 (E_RNA)
where:
Base-Base interactions energy: -186.352
where: short stacking energy: -105.423
Base-Backbone interact. energy: -0.215
local terms energy: -136.778228
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -315.044036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.044036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.044036 (E_RNA)
where:
Base-Base interactions energy: -197.243
where: short stacking energy: -88.610
Base-Backbone interact. energy: -0.233
local terms energy: -117.568082
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -239.384229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.384229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.384229 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.923
local terms energy: -117.037546
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -171.652202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652202 (E_RNA)
where:
Base-Base interactions energy: -65.575
where: short stacking energy: -48.980
Base-Backbone interact. energy: -0.347
local terms energy: -105.730016
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -162.998817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.998817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.998817 (E_RNA)
where:
Base-Base interactions energy: -56.411
where: short stacking energy: -41.455
Base-Backbone interact. energy: -0.569
local terms energy: -106.018933
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -571.705412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.705412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.705412 (E_RNA)
where:
Base-Base interactions energy: -400.546
where: short stacking energy: -186.022
Base-Backbone interact. energy: -0.063
local terms energy: -171.096608
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -56.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -526.282194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.282194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.282194 (E_RNA)
where:
Base-Base interactions energy: -361.099
where: short stacking energy: -157.042
Base-Backbone interact. energy: -0.739
local terms energy: -164.444334
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -38.470
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -472.073193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.073193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.073193 (E_RNA)
where:
Base-Base interactions energy: -303.383
where: short stacking energy: -144.787
Base-Backbone interact. energy: -0.028
local terms energy: -168.661714
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -37.331
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -43.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -422.706833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.706833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.706833 (E_RNA)
where:
Base-Base interactions energy: -259.438
where: short stacking energy: -126.118
Base-Backbone interact. energy: -0.462
local terms energy: -162.807072
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -35.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -389.610691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.610691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.610691 (E_RNA)
where:
Base-Base interactions energy: -240.368
where: short stacking energy: -117.282
Base-Backbone interact. energy: -0.542
local terms energy: -148.701154
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -335.702405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.702405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.702405 (E_RNA)
where:
Base-Base interactions energy: -192.713
where: short stacking energy: -99.859
Base-Backbone interact. energy: -0.559
local terms energy: -142.430644
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -22.526
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -297.036194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.036194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.036194 (E_RNA)
where:
Base-Base interactions energy: -159.392
where: short stacking energy: -87.105
Base-Backbone interact. energy: -0.898
local terms energy: -136.745293
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -252.374874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.374874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.374874 (E_RNA)
where:
Base-Base interactions energy: -166.899
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.886
local terms energy: -84.590107
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -208.291827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.291827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.291827 (E_RNA)
where:
Base-Base interactions energy: -96.430
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.266
local terms energy: -111.595351
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -150.929470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.929470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.929470 (E_RNA)
where:
Base-Base interactions energy: -68.961
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.406
local terms energy: -81.561887
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -577.430719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.430719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.430719 (E_RNA)
where:
Base-Base interactions energy: -376.341
where: short stacking energy: -182.699
Base-Backbone interact. energy: -0.578
local terms energy: -200.512229
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -41.091
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -58.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -529.135089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.135089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.135089 (E_RNA)
where:
Base-Base interactions energy: -353.834
where: short stacking energy: -160.495
Base-Backbone interact. energy: -0.410
local terms energy: -174.891536
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -49.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -479.848456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.848456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.848456 (E_RNA)
where:
Base-Base interactions energy: -300.878
where: short stacking energy: -144.948
Base-Backbone interact. energy: -0.141
local terms energy: -178.829910
where:
bonds (distance) C4'-P energy: -35.663
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -47.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -448.939096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.939096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.939096 (E_RNA)
where:
Base-Base interactions energy: -272.010
where: short stacking energy: -135.824
Base-Backbone interact. energy: -0.091
local terms energy: -176.838173
where:
bonds (distance) C4'-P energy: -36.217
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -401.832597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.832597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.832597 (E_RNA)
where:
Base-Base interactions energy: -242.956
where: short stacking energy: -122.817
Base-Backbone interact. energy: -0.233
local terms energy: -158.644081
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -37.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -326.820853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820853 (E_RNA)
where:
Base-Base interactions energy: -198.826
where: short stacking energy: -109.336
Base-Backbone interact. energy: -1.752
local terms energy: -126.242805
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -273.913556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.913556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.913556 (E_RNA)
where:
Base-Base interactions energy: -152.076
where: short stacking energy: -72.604
Base-Backbone interact. energy: -0.660
local terms energy: -121.177543
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -27.930
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -240.503030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503030 (E_RNA)
where:
Base-Base interactions energy: -128.214
where: short stacking energy: -72.193
Base-Backbone interact. energy: -1.261
local terms energy: -111.028165
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -164.966111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.966111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.966111 (E_RNA)
where:
Base-Base interactions energy: -60.940
where: short stacking energy: -53.846
Base-Backbone interact. energy: 2.672
local terms energy: -106.698729
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -153.537932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.537932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.537932 (E_RNA)
where:
Base-Base interactions energy: -63.610
where: short stacking energy: -42.431
Base-Backbone interact. energy: 2.809
local terms energy: -92.736689
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -582.801305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.801305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.801305 (E_RNA)
where:
Base-Base interactions energy: -389.385
where: short stacking energy: -189.768
Base-Backbone interact. energy: -0.073
local terms energy: -193.342838
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -62.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -540.915248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.915248 (E_RNA)
where:
Base-Base interactions energy: -359.610
where: short stacking energy: -156.428
Base-Backbone interact. energy: -0.114
local terms energy: -181.191505
where:
bonds (distance) C4'-P energy: -35.515
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -474.802803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.802803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.802803 (E_RNA)
where:
Base-Base interactions energy: -291.511
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.988
local terms energy: -182.303531
where:
bonds (distance) C4'-P energy: -37.220
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -431.094490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.094490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.094490 (E_RNA)
where:
Base-Base interactions energy: -270.056
where: short stacking energy: -123.567
Base-Backbone interact. energy: -0.260
local terms energy: -160.777584
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -21.217
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -426.999451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.999451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.999451 (E_RNA)
where:
Base-Base interactions energy: -266.852
where: short stacking energy: -124.505
Base-Backbone interact. energy: 0.266
local terms energy: -160.413968
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -41.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -282.639258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.639258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.639258 (E_RNA)
where:
Base-Base interactions energy: -151.892
where: short stacking energy: -85.994
Base-Backbone interact. energy: -1.992
local terms energy: -128.755533
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -299.958384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.958384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.958384 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -82.037
Base-Backbone interact. energy: -1.046
local terms energy: -136.459249
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -241.495997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.495997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.495997 (E_RNA)
where:
Base-Base interactions energy: -118.741
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.724
local terms energy: -122.030189
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -164.801786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.801786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.801786 (E_RNA)
where:
Base-Base interactions energy: -70.081
where: short stacking energy: -54.787
Base-Backbone interact. energy: 3.415
local terms energy: -98.135914
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -147.928660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.928660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.928660 (E_RNA)
where:
Base-Base interactions energy: -55.292
where: short stacking energy: -54.421
Base-Backbone interact. energy: 2.690
local terms energy: -95.326841
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -587.777996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.777996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.777996 (E_RNA)
where:
Base-Base interactions energy: -386.950
where: short stacking energy: -192.576
Base-Backbone interact. energy: -0.171
local terms energy: -200.656822
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -55.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -531.889374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.889374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.889374 (E_RNA)
where:
Base-Base interactions energy: -346.541
where: short stacking energy: -164.866
Base-Backbone interact. energy: -1.561
local terms energy: -183.787902
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -51.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -464.988087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.988087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.988087 (E_RNA)
where:
Base-Base interactions energy: -299.195
where: short stacking energy: -140.200
Base-Backbone interact. energy: 0.005
local terms energy: -165.798207
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -48.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -403.145021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.145021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.145021 (E_RNA)
where:
Base-Base interactions energy: -247.955
where: short stacking energy: -112.859
Base-Backbone interact. energy: -0.551
local terms energy: -154.638488
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -416.521720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.521720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.521720 (E_RNA)
where:
Base-Base interactions energy: -271.191
where: short stacking energy: -115.545
Base-Backbone interact. energy: -0.214
local terms energy: -145.116355
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -318.017513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.017513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.017513 (E_RNA)
where:
Base-Base interactions energy: -186.178
where: short stacking energy: -101.720
Base-Backbone interact. energy: -0.809
local terms energy: -131.030023
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -253.960820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.960820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.960820 (E_RNA)
where:
Base-Base interactions energy: -140.149
where: short stacking energy: -78.751
Base-Backbone interact. energy: 2.071
local terms energy: -115.882075
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -259.845130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.845130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.845130 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -73.199
Base-Backbone interact. energy: -1.077
local terms energy: -119.760613
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -161.904690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.904690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.904690 (E_RNA)
where:
Base-Base interactions energy: -73.325
where: short stacking energy: -36.557
Base-Backbone interact. energy: 1.613
local terms energy: -90.193025
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -159.927371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.927371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.927371 (E_RNA)
where:
Base-Base interactions energy: -50.377
where: short stacking energy: -50.079
Base-Backbone interact. energy: -1.239
local terms energy: -108.310519
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -29.030
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: 3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -574.684521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.684521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.684521 (E_RNA)
where:
Base-Base interactions energy: -381.957
where: short stacking energy: -182.552
Base-Backbone interact. energy: -0.033
local terms energy: -192.693995
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -42.856
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -54.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -540.693641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.693641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.693641 (E_RNA)
where:
Base-Base interactions energy: -352.119
where: short stacking energy: -167.846
Base-Backbone interact. energy: -0.662
local terms energy: -187.912210
where:
bonds (distance) C4'-P energy: -34.657
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -49.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -457.101705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.101705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.101705 (E_RNA)
where:
Base-Base interactions energy: -279.466
where: short stacking energy: -153.063
Base-Backbone interact. energy: -0.026
local terms energy: -177.610430
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -384.736155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.736155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.736155 (E_RNA)
where:
Base-Base interactions energy: -228.536
where: short stacking energy: -114.324
Base-Backbone interact. energy: -0.559
local terms energy: -155.641564
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -345.996404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.996404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.996404 (E_RNA)
where:
Base-Base interactions energy: -199.889
where: short stacking energy: -106.810
Base-Backbone interact. energy: 2.567
local terms energy: -148.674327
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -386.265213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.265213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.265213 (E_RNA)
where:
Base-Base interactions energy: -253.029
where: short stacking energy: -113.927
Base-Backbone interact. energy: -0.760
local terms energy: -132.476007
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -260.411721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.411721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.411721 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -80.201
Base-Backbone interact. energy: 0.713
local terms energy: -125.872488
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -267.703531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.703531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.703531 (E_RNA)
where:
Base-Base interactions energy: -154.096
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.435
local terms energy: -113.172615
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -198.864549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.864549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.864549 (E_RNA)
where:
Base-Base interactions energy: -85.555
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.710
local terms energy: -112.599166
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -171.215399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.215399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.215399 (E_RNA)
where:
Base-Base interactions energy: -51.673
where: short stacking energy: -46.509
Base-Backbone interact. energy: -0.600
local terms energy: -118.942585
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -582.008702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.008702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.008702 (E_RNA)
where:
Base-Base interactions energy: -381.460
where: short stacking energy: -178.786
Base-Backbone interact. energy: -0.700
local terms energy: -199.849099
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -43.029
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -57.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -530.516298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.516298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.516298 (E_RNA)
where:
Base-Base interactions energy: -363.779
where: short stacking energy: -166.336
Base-Backbone interact. energy: -0.414
local terms energy: -166.323407
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -44.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -451.466753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.466753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.466753 (E_RNA)
where:
Base-Base interactions energy: -274.918
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.259
local terms energy: -176.289860
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -45.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -432.598030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.598030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.598030 (E_RNA)
where:
Base-Base interactions energy: -265.506
where: short stacking energy: -128.431
Base-Backbone interact. energy: -0.100
local terms energy: -166.991596
where:
bonds (distance) C4'-P energy: -34.953
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -36.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -342.218005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.218005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.218005 (E_RNA)
where:
Base-Base interactions energy: -212.399
where: short stacking energy: -114.110
Base-Backbone interact. energy: 2.185
local terms energy: -132.003081
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -375.084758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.084758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.084758 (E_RNA)
where:
Base-Base interactions energy: -245.078
where: short stacking energy: -108.021
Base-Backbone interact. energy: -0.700
local terms energy: -129.307067
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -281.180139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.180139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.180139 (E_RNA)
where:
Base-Base interactions energy: -153.222
where: short stacking energy: -86.771
Base-Backbone interact. energy: -1.757
local terms energy: -126.201026
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -316.454593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.454593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.454593 (E_RNA)
where:
Base-Base interactions energy: -183.993
where: short stacking energy: -99.459
Base-Backbone interact. energy: -0.156
local terms energy: -132.306339
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -172.484046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.484046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.484046 (E_RNA)
where:
Base-Base interactions energy: -73.489
where: short stacking energy: -40.918
Base-Backbone interact. energy: 0.393
local terms energy: -99.387702
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: 7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -158.639500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.639500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.639500 (E_RNA)
where:
Base-Base interactions energy: -58.243
where: short stacking energy: -42.160
Base-Backbone interact. energy: 1.337
local terms energy: -101.733766
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -545.483666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.483666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.483666 (E_RNA)
where:
Base-Base interactions energy: -356.706
where: short stacking energy: -168.061
Base-Backbone interact. energy: -0.028
local terms energy: -188.750541
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -37.717
flat angles P-C4'-P energy: -27.064
tors. eta vs tors. theta energy: -50.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -553.284316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.284316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.284316 (E_RNA)
where:
Base-Base interactions energy: -369.329
where: short stacking energy: -182.438
Base-Backbone interact. energy: -0.132
local terms energy: -183.823503
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -40.497
flat angles P-C4'-P energy: -23.701
tors. eta vs tors. theta energy: -58.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -454.653355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.653355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.653355 (E_RNA)
where:
Base-Base interactions energy: -277.862
where: short stacking energy: -141.972
Base-Backbone interact. energy: -0.155
local terms energy: -176.637031
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -48.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -414.956614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.956614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.956614 (E_RNA)
where:
Base-Base interactions energy: -259.150
where: short stacking energy: -132.979
Base-Backbone interact. energy: -0.690
local terms energy: -155.116964
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -32.445
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -389.945966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.945966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.945966 (E_RNA)
where:
Base-Base interactions energy: -244.134
where: short stacking energy: -111.692
Base-Backbone interact. energy: -1.103
local terms energy: -144.709562
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -322.827070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.827070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.827070 (E_RNA)
where:
Base-Base interactions energy: -198.079
where: short stacking energy: -99.635
Base-Backbone interact. energy: -0.383
local terms energy: -124.365122
where:
bonds (distance) C4'-P energy: -37.366
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -356.563328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.563328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.563328 (E_RNA)
where:
Base-Base interactions energy: -212.461
where: short stacking energy: -115.421
Base-Backbone interact. energy: -0.263
local terms energy: -143.839702
where:
bonds (distance) C4'-P energy: -32.631
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -261.181763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.181763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.181763 (E_RNA)
where:
Base-Base interactions energy: -144.688
where: short stacking energy: -87.707
Base-Backbone interact. energy: 0.037
local terms energy: -116.530747
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -173.739341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.739341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.739341 (E_RNA)
where:
Base-Base interactions energy: -66.904
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.712
local terms energy: -106.124010
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -159.800055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.800055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.800055 (E_RNA)
where:
Base-Base interactions energy: -68.809
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.849
local terms energy: -90.142930
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: 9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -560.936939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.936939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.936939 (E_RNA)
where:
Base-Base interactions energy: -376.691
where: short stacking energy: -168.315
Base-Backbone interact. energy: -0.651
local terms energy: -183.594611
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -49.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -566.094139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.094139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.094139 (E_RNA)
where:
Base-Base interactions energy: -373.964
where: short stacking energy: -183.235
Base-Backbone interact. energy: -0.008
local terms energy: -192.122849
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -37.362
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -58.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -453.710851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.710851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.710851 (E_RNA)
where:
Base-Base interactions energy: -269.663
where: short stacking energy: -139.776
Base-Backbone interact. energy: -0.097
local terms energy: -183.951277
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -43.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -416.416195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.416195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.416195 (E_RNA)
where:
Base-Base interactions energy: -263.857
where: short stacking energy: -115.942
Base-Backbone interact. energy: -1.335
local terms energy: -151.224084
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -401.465682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.465682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.465682 (E_RNA)
where:
Base-Base interactions energy: -257.926
where: short stacking energy: -132.764
Base-Backbone interact. energy: -0.131
local terms energy: -143.409068
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -28.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -343.877858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.877858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.877858 (E_RNA)
where:
Base-Base interactions energy: -189.925
where: short stacking energy: -106.416
Base-Backbone interact. energy: -0.317
local terms energy: -153.636271
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -326.853311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.853311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.853311 (E_RNA)
where:
Base-Base interactions energy: -198.691
where: short stacking energy: -99.846
Base-Backbone interact. energy: -0.486
local terms energy: -127.675717
where:
bonds (distance) C4'-P energy: -28.732
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -252.007238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.007238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.007238 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -80.973
Base-Backbone interact. energy: -0.417
local terms energy: -112.370543
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -175.235424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.235424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.235424 (E_RNA)
where:
Base-Base interactions energy: -64.602
where: short stacking energy: -59.875
Base-Backbone interact. energy: 1.876
local terms energy: -112.508514
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -164.305966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.305966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.305966 (E_RNA)
where:
Base-Base interactions energy: -58.928
where: short stacking energy: -58.928
Base-Backbone interact. energy: 1.466
local terms energy: -106.843431
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -31.942
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -586.148076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.148076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.148076 (E_RNA)
where:
Base-Base interactions energy: -380.310
where: short stacking energy: -189.013
Base-Backbone interact. energy: -0.012
local terms energy: -205.826162
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -37.420
flat angles C4'-P-C4' energy: -42.605
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -60.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -555.457655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.457655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.457655 (E_RNA)
where:
Base-Base interactions energy: -376.260
where: short stacking energy: -172.938
Base-Backbone interact. energy: 0.138
local terms energy: -179.335868
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -51.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -458.475465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.475465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.475465 (E_RNA)
where:
Base-Base interactions energy: -291.970
where: short stacking energy: -150.256
Base-Backbone interact. energy: 0.165
local terms energy: -166.670198
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -421.138690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.138690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.138690 (E_RNA)
where:
Base-Base interactions energy: -261.902
where: short stacking energy: -126.964
Base-Backbone interact. energy: -0.769
local terms energy: -158.467533
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -37.373
flat angles P-C4'-P energy: -25.641
tors. eta vs tors. theta energy: -32.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -401.965284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.965284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.965284 (E_RNA)
where:
Base-Base interactions energy: -250.785
where: short stacking energy: -120.951
Base-Backbone interact. energy: -0.888
local terms energy: -150.292885
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -27.832
tors. eta vs tors. theta energy: -28.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -364.188994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.188994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.188994 (E_RNA)
where:
Base-Base interactions energy: -213.805
where: short stacking energy: -118.912
Base-Backbone interact. energy: 0.142
local terms energy: -150.525680
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -31.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -317.021631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.021631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.021631 (E_RNA)
where:
Base-Base interactions energy: -200.980
where: short stacking energy: -102.714
Base-Backbone interact. energy: -0.396
local terms energy: -115.645674
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -242.759335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.759335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.759335 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -75.637
Base-Backbone interact. energy: -0.401
local terms energy: -125.505236
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -33.626
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -165.069091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.069091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.069091 (E_RNA)
where:
Base-Base interactions energy: -66.035
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.438
local terms energy: -98.595578
where:
bonds (distance) C4'-P energy: -29.047
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -157.180434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.180434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.180434 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -48.988
Base-Backbone interact. energy: 0.208
local terms energy: -104.604857
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: 9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -589.057189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.057189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.057189 (E_RNA)
where:
Base-Base interactions energy: -387.330
where: short stacking energy: -187.927
Base-Backbone interact. energy: -0.071
local terms energy: -201.656353
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -62.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -555.154189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.154189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.154189 (E_RNA)
where:
Base-Base interactions energy: -369.585
where: short stacking energy: -185.572
Base-Backbone interact. energy: 0.248
local terms energy: -185.817401
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -43.482
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -450.674742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.674742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.674742 (E_RNA)
where:
Base-Base interactions energy: -301.082
where: short stacking energy: -142.939
Base-Backbone interact. energy: 2.361
local terms energy: -151.953786
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -432.128923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.128923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.128923 (E_RNA)
where:
Base-Base interactions energy: -274.110
where: short stacking energy: -132.024
Base-Backbone interact. energy: 0.584
local terms energy: -158.602532
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -408.840246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.840246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.840246 (E_RNA)
where:
Base-Base interactions energy: -251.679
where: short stacking energy: -128.741
Base-Backbone interact. energy: 0.822
local terms energy: -157.983123
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -30.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -350.441380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.441380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.441380 (E_RNA)
where:
Base-Base interactions energy: -198.501
where: short stacking energy: -104.783
Base-Backbone interact. energy: -0.053
local terms energy: -151.887261
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -328.770737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.770737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.770737 (E_RNA)
where:
Base-Base interactions energy: -185.399
where: short stacking energy: -93.420
Base-Backbone interact. energy: 0.091
local terms energy: -143.462316
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -251.857934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.857934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.857934 (E_RNA)
where:
Base-Base interactions energy: -132.714
where: short stacking energy: -77.688
Base-Backbone interact. energy: 0.526
local terms energy: -119.670726
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -157.130275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.130275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.130275 (E_RNA)
where:
Base-Base interactions energy: -48.764
where: short stacking energy: -48.816
Base-Backbone interact. energy: -0.228
local terms energy: -108.138469
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -159.638194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.638194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.638194 (E_RNA)
where:
Base-Base interactions energy: -55.155
where: short stacking energy: -41.087
Base-Backbone interact. energy: -1.482
local terms energy: -103.001627
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -559.919059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.919059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.919059 (E_RNA)
where:
Base-Base interactions energy: -367.704
where: short stacking energy: -165.300
Base-Backbone interact. energy: 0.066
local terms energy: -192.280826
where:
bonds (distance) C4'-P energy: -40.515
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -52.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -580.339987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.339987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.339987 (E_RNA)
where:
Base-Base interactions energy: -383.569
where: short stacking energy: -186.280
Base-Backbone interact. energy: -0.020
local terms energy: -196.750624
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -38.755
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -57.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -431.453318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.453318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.453318 (E_RNA)
where:
Base-Base interactions energy: -280.708
where: short stacking energy: -134.697
Base-Backbone interact. energy: -0.262
local terms energy: -150.483908
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -429.625818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.625818 (E_RNA)
where:
Base-Base interactions energy: -278.255
where: short stacking energy: -143.691
Base-Backbone interact. energy: -0.161
local terms energy: -151.209673
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -37.556
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -41.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -388.179757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.179757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.179757 (E_RNA)
where:
Base-Base interactions energy: -250.292
where: short stacking energy: -118.952
Base-Backbone interact. energy: 3.563
local terms energy: -141.450939
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -28.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -356.280426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.280426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.280426 (E_RNA)
where:
Base-Base interactions energy: -219.046
where: short stacking energy: -118.204
Base-Backbone interact. energy: -0.115
local terms energy: -137.118762
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -28.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -315.619526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.619526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.619526 (E_RNA)
where:
Base-Base interactions energy: -183.600
where: short stacking energy: -104.736
Base-Backbone interact. energy: -0.576
local terms energy: -131.443682
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -258.243593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.243593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.243593 (E_RNA)
where:
Base-Base interactions energy: -140.422
where: short stacking energy: -81.374
Base-Backbone interact. energy: -0.086
local terms energy: -117.734875
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -178.651444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.651444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.651444 (E_RNA)
where:
Base-Base interactions energy: -55.367
where: short stacking energy: -45.459
Base-Backbone interact. energy: -0.671
local terms energy: -122.612845
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -168.237370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.237370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.237370 (E_RNA)
where:
Base-Base interactions energy: -50.368
where: short stacking energy: -40.898
Base-Backbone interact. energy: -0.089
local terms energy: -117.780718
where:
bonds (distance) C4'-P energy: -32.504
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -564.238970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.238970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.238970 (E_RNA)
where:
Base-Base interactions energy: -376.324
where: short stacking energy: -170.664
Base-Backbone interact. energy: 0.249
local terms energy: -188.163878
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -30.611
tors. eta vs tors. theta energy: -54.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -566.550369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.550369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.550369 (E_RNA)
where:
Base-Base interactions energy: -377.467
where: short stacking energy: -186.107
Base-Backbone interact. energy: -0.059
local terms energy: -189.024118
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -39.239
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -55.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -452.177948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.177948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.177948 (E_RNA)
where:
Base-Base interactions energy: -274.251
where: short stacking energy: -134.125
Base-Backbone interact. energy: -0.643
local terms energy: -177.284827
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -42.292
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -36.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -427.628211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.628211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.628211 (E_RNA)
where:
Base-Base interactions energy: -273.442
where: short stacking energy: -138.176
Base-Backbone interact. energy: 2.388
local terms energy: -156.573512
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -431.304640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.304640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.304640 (E_RNA)
where:
Base-Base interactions energy: -262.822
where: short stacking energy: -142.354
Base-Backbone interact. energy: -0.133
local terms energy: -168.349974
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -38.831
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -49.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -360.943537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.943537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.943537 (E_RNA)
where:
Base-Base interactions energy: -217.707
where: short stacking energy: -116.554
Base-Backbone interact. energy: -1.321
local terms energy: -141.915153
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -37.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -309.610026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.610026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.610026 (E_RNA)
where:
Base-Base interactions energy: -191.976
where: short stacking energy: -98.463
Base-Backbone interact. energy: -0.593
local terms energy: -117.041177
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -261.796537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.796537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.796537 (E_RNA)
where:
Base-Base interactions energy: -145.736
where: short stacking energy: -84.921
Base-Backbone interact. energy: -0.207
local terms energy: -115.853191
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -169.590511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.590511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.590511 (E_RNA)
where:
Base-Base interactions energy: -59.321
where: short stacking energy: -55.543
Base-Backbone interact. energy: -0.583
local terms energy: -109.686335
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -35.830
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -151.508650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.508650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.508650 (E_RNA)
where:
Base-Base interactions energy: -49.634
where: short stacking energy: -38.282
Base-Backbone interact. energy: 0.563
local terms energy: -102.437527
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -581.977533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.977533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.977533 (E_RNA)
where:
Base-Base interactions energy: -383.211
where: short stacking energy: -190.500
Base-Backbone interact. energy: -0.049
local terms energy: -198.718033
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -58.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -555.580315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.580315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.580315 (E_RNA)
where:
Base-Base interactions energy: -372.573
where: short stacking energy: -171.026
Base-Backbone interact. energy: -0.041
local terms energy: -182.966218
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -37.442
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -52.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -440.869456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.869456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.869456 (E_RNA)
where:
Base-Base interactions energy: -278.481
where: short stacking energy: -140.007
Base-Backbone interact. energy: -0.555
local terms energy: -161.834039
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -37.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -444.711240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.711240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.711240 (E_RNA)
where:
Base-Base interactions energy: -278.197
where: short stacking energy: -131.524
Base-Backbone interact. energy: -0.737
local terms energy: -165.777565
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -42.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -441.808744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.808744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.808744 (E_RNA)
where:
Base-Base interactions energy: -273.589
where: short stacking energy: -132.794
Base-Backbone interact. energy: -0.656
local terms energy: -167.563866
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -40.365
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -39.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -368.041367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.041367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.041367 (E_RNA)
where:
Base-Base interactions energy: -202.939
where: short stacking energy: -108.827
Base-Backbone interact. energy: -0.025
local terms energy: -165.076888
where:
bonds (distance) C4'-P energy: -33.466
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -252.584869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.584869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.584869 (E_RNA)
where:
Base-Base interactions energy: -136.434
where: short stacking energy: -66.264
Base-Backbone interact. energy: -0.083
local terms energy: -116.067997
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -32.515
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -297.659039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.659039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.659039 (E_RNA)
where:
Base-Base interactions energy: -168.073
where: short stacking energy: -82.557
Base-Backbone interact. energy: -2.051
local terms energy: -127.534088
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -31.233
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -162.029202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.029202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.029202 (E_RNA)
where:
Base-Base interactions energy: -46.769
where: short stacking energy: -46.251
Base-Backbone interact. energy: 0.404
local terms energy: -115.664230
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -162.810825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.810825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.810825 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -40.446
Base-Backbone interact. energy: -1.594
local terms energy: -102.381264
where:
bonds (distance) C4'-P energy: -32.090
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -580.507308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.507308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.507308 (E_RNA)
where:
Base-Base interactions energy: -382.407
where: short stacking energy: -185.802
Base-Backbone interact. energy: -0.122
local terms energy: -197.978940
where:
bonds (distance) C4'-P energy: -38.683
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -56.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -542.236096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.236096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.236096 (E_RNA)
where:
Base-Base interactions energy: -354.864
where: short stacking energy: -168.239
Base-Backbone interact. energy: 0.575
local terms energy: -187.947190
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -41.181
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -51.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -462.750663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.750663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.750663 (E_RNA)
where:
Base-Base interactions energy: -295.972
where: short stacking energy: -143.228
Base-Backbone interact. energy: -0.086
local terms energy: -166.693219
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -37.085
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -43.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -439.073134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.073134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.073134 (E_RNA)
where:
Base-Base interactions energy: -273.785
where: short stacking energy: -138.839
Base-Backbone interact. energy: -0.063
local terms energy: -165.225501
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -33.880
flat angles C4'-P-C4' energy: -38.431
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -42.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -442.810567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.810567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.810567 (E_RNA)
where:
Base-Base interactions energy: -287.429
where: short stacking energy: -141.044
Base-Backbone interact. energy: -0.030
local terms energy: -155.350926
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -353.941789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.941789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.941789 (E_RNA)
where:
Base-Base interactions energy: -217.525
where: short stacking energy: -108.826
Base-Backbone interact. energy: -0.750
local terms energy: -135.666998
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -25.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -251.774551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.774551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.774551 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -78.450
Base-Backbone interact. energy: 1.385
local terms energy: -132.572130
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -33.908
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -313.379953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.379953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.379953 (E_RNA)
where:
Base-Base interactions energy: -184.430
where: short stacking energy: -99.361
Base-Backbone interact. energy: -1.080
local terms energy: -127.869718
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -179.174964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.174964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.174964 (E_RNA)
where:
Base-Base interactions energy: -67.060
where: short stacking energy: -40.695
Base-Backbone interact. energy: -1.299
local terms energy: -110.816270
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -158.063688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.063688 (E_RNA)
where:
Base-Base interactions energy: -60.542
where: short stacking energy: -41.844
Base-Backbone interact. energy: -2.053
local terms energy: -95.467911
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -592.896960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.896960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.896960 (E_RNA)
where:
Base-Base interactions energy: -393.632
where: short stacking energy: -202.092
Base-Backbone interact. energy: -0.021
local terms energy: -199.244018
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -41.764
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -56.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -540.737403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.737403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.737403 (E_RNA)
where:
Base-Base interactions energy: -345.965
where: short stacking energy: -176.026
Base-Backbone interact. energy: -0.087
local terms energy: -194.684674
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -35.224
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -58.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -461.331299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.331299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.331299 (E_RNA)
where:
Base-Base interactions energy: -288.963
where: short stacking energy: -146.787
Base-Backbone interact. energy: 0.771
local terms energy: -173.139264
where:
bonds (distance) C4'-P energy: -34.098
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -36.943
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -412.845030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.845030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.845030 (E_RNA)
where:
Base-Base interactions energy: -254.310
where: short stacking energy: -122.250
Base-Backbone interact. energy: 0.117
local terms energy: -158.652071
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -425.024107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.024107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.024107 (E_RNA)
where:
Base-Base interactions energy: -273.271
where: short stacking energy: -131.843
Base-Backbone interact. energy: -0.087
local terms energy: -151.665770
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -28.809
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -34.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -336.275986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.275986 (E_RNA)
where:
Base-Base interactions energy: -190.336
where: short stacking energy: -95.539
Base-Backbone interact. energy: -0.490
local terms energy: -145.450028
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -302.788960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.788960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.788960 (E_RNA)
where:
Base-Base interactions energy: -179.161
where: short stacking energy: -93.571
Base-Backbone interact. energy: 1.372
local terms energy: -124.999698
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -258.422572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.422572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.422572 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -86.310
Base-Backbone interact. energy: 1.710
local terms energy: -124.445424
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -171.870743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.870743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.870743 (E_RNA)
where:
Base-Base interactions energy: -86.497
where: short stacking energy: -63.401
Base-Backbone interact. energy: -0.708
local terms energy: -84.664846
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -167.727312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.727312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.727312 (E_RNA)
where:
Base-Base interactions energy: -73.926
where: short stacking energy: -37.110
Base-Backbone interact. energy: -1.734
local terms energy: -92.067280
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -578.313342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.313342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.313342 (E_RNA)
where:
Base-Base interactions energy: -391.932
where: short stacking energy: -189.697
Base-Backbone interact. energy: -0.082
local terms energy: -186.299205
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -31.835
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -58.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -527.967913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.967913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.967913 (E_RNA)
where:
Base-Base interactions energy: -339.971
where: short stacking energy: -160.281
Base-Backbone interact. energy: -0.053
local terms energy: -187.944759
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -45.464
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -50.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -447.599919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.599919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.599919 (E_RNA)
where:
Base-Base interactions energy: -283.552
where: short stacking energy: -134.579
Base-Backbone interact. energy: -1.553
local terms energy: -162.495532
where:
bonds (distance) C4'-P energy: -32.312
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -41.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -447.861161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.861161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.861161 (E_RNA)
where:
Base-Base interactions energy: -281.002
where: short stacking energy: -136.072
Base-Backbone interact. energy: -0.151
local terms energy: -166.708620
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -36.972
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -38.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -406.178605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.178605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.178605 (E_RNA)
where:
Base-Base interactions energy: -262.382
where: short stacking energy: -132.600
Base-Backbone interact. energy: 0.131
local terms energy: -143.927612
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -39.319
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -347.185686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.185686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.185686 (E_RNA)
where:
Base-Base interactions energy: -192.712
where: short stacking energy: -94.469
Base-Backbone interact. energy: -0.616
local terms energy: -153.857630
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -39.499
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -291.789139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.789139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.789139 (E_RNA)
where:
Base-Base interactions energy: -158.575
where: short stacking energy: -84.175
Base-Backbone interact. energy: -0.150
local terms energy: -133.064520
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -239.624058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.624058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.624058 (E_RNA)
where:
Base-Base interactions energy: -113.644
where: short stacking energy: -71.303
Base-Backbone interact. energy: 0.373
local terms energy: -126.352898
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -161.759746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.759746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.759746 (E_RNA)
where:
Base-Base interactions energy: -51.764
where: short stacking energy: -41.954
Base-Backbone interact. energy: 0.131
local terms energy: -110.126669
where:
bonds (distance) C4'-P energy: -30.141
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -190.618530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.618530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.618530 (E_RNA)
where:
Base-Base interactions energy: -68.645
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.553
local terms energy: -121.419688
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -28.166
tors. eta vs tors. theta energy: 4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -590.219963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.219963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.219963 (E_RNA)
where:
Base-Base interactions energy: -390.763
where: short stacking energy: -182.635
Base-Backbone interact. energy: 0.055
local terms energy: -199.511238
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -31.697
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -60.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -547.761959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.761959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.761959 (E_RNA)
where:
Base-Base interactions energy: -362.972
where: short stacking energy: -166.150
Base-Backbone interact. energy: -0.197
local terms energy: -184.592822
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -44.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -460.062422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.062422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.062422 (E_RNA)
where:
Base-Base interactions energy: -290.727
where: short stacking energy: -152.838
Base-Backbone interact. energy: -0.681
local terms energy: -168.654674
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -47.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -417.026162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.026162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.026162 (E_RNA)
where:
Base-Base interactions energy: -263.166
where: short stacking energy: -123.404
Base-Backbone interact. energy: -0.373
local terms energy: -153.487670
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -419.237612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.237612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.237612 (E_RNA)
where:
Base-Base interactions energy: -265.688
where: short stacking energy: -133.116
Base-Backbone interact. energy: 1.180
local terms energy: -154.729611
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -36.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -349.096531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.096531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.096531 (E_RNA)
where:
Base-Base interactions energy: -224.420
where: short stacking energy: -111.049
Base-Backbone interact. energy: -0.139
local terms energy: -124.537752
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -295.658647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.658647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.658647 (E_RNA)
where:
Base-Base interactions energy: -159.373
where: short stacking energy: -98.485
Base-Backbone interact. energy: -0.074
local terms energy: -136.212487
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -234.532474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.532474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.532474 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.295
local terms energy: -118.436381
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -234.337725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.337725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.337725 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.648
local terms energy: -108.347830
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -162.778088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.778088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.778088 (E_RNA)
where:
Base-Base interactions energy: -59.555
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.430
local terms energy: -102.792688
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -31.442
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -580.621514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.621514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.621514 (E_RNA)
where:
Base-Base interactions energy: -385.699
where: short stacking energy: -180.321
Base-Backbone interact. energy: -0.119
local terms energy: -194.804093
where:
bonds (distance) C4'-P energy: -39.430
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -29.815
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -477.307169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.307169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.307169 (E_RNA)
where:
Base-Base interactions energy: -300.173
where: short stacking energy: -154.076
Base-Backbone interact. energy: -1.493
local terms energy: -175.641438
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -51.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -517.372062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.372062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.372062 (E_RNA)
where:
Base-Base interactions energy: -348.009
where: short stacking energy: -158.661
Base-Backbone interact. energy: -0.616
local terms energy: -168.747144
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -54.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -429.440982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.440982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.440982 (E_RNA)
where:
Base-Base interactions energy: -267.496
where: short stacking energy: -133.190
Base-Backbone interact. energy: -0.233
local terms energy: -161.711993
where:
bonds (distance) C4'-P energy: -40.962
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -405.033864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.033864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.033864 (E_RNA)
where:
Base-Base interactions energy: -241.333
where: short stacking energy: -118.124
Base-Backbone interact. energy: -0.606
local terms energy: -163.095586
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -30.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -356.876686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.876686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.876686 (E_RNA)
where:
Base-Base interactions energy: -210.661
where: short stacking energy: -105.189
Base-Backbone interact. energy: 1.019
local terms energy: -147.234371
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -269.110118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.110118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.110118 (E_RNA)
where:
Base-Base interactions energy: -137.625
where: short stacking energy: -79.180
Base-Backbone interact. energy: -0.891
local terms energy: -130.594396
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -233.992029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.992029 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -70.911
Base-Backbone interact. energy: -1.732
local terms energy: -102.876695
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -231.548234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.548234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.548234 (E_RNA)
where:
Base-Base interactions energy: -124.111
where: short stacking energy: -77.495
Base-Backbone interact. energy: 3.556
local terms energy: -110.992799
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -158.875879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.875879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.875879 (E_RNA)
where:
Base-Base interactions energy: -57.228
where: short stacking energy: -37.767
Base-Backbone interact. energy: -0.665
local terms energy: -100.983590
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -595.755884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.755884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.755884 (E_RNA)
where:
Base-Base interactions energy: -399.502
where: short stacking energy: -188.444
Base-Backbone interact. energy: -0.641
local terms energy: -195.613362
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -58.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -489.048287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.048287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.048287 (E_RNA)
where:
Base-Base interactions energy: -309.143
where: short stacking energy: -149.786
Base-Backbone interact. energy: -0.518
local terms energy: -179.388261
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -38.279
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -50.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -496.102258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.102258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.102258 (E_RNA)
where:
Base-Base interactions energy: -314.717
where: short stacking energy: -148.223
Base-Backbone interact. energy: -0.846
local terms energy: -180.539651
where:
bonds (distance) C4'-P energy: -38.424
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -49.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -424.836157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.836157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.836157 (E_RNA)
where:
Base-Base interactions energy: -271.883
where: short stacking energy: -128.079
Base-Backbone interact. energy: -0.113
local terms energy: -152.840299
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -30.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -398.023658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.023658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.023658 (E_RNA)
where:
Base-Base interactions energy: -259.903
where: short stacking energy: -116.424
Base-Backbone interact. energy: 2.127
local terms energy: -140.247477
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -375.053058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.053058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.053058 (E_RNA)
where:
Base-Base interactions energy: -225.794
where: short stacking energy: -115.430
Base-Backbone interact. energy: 0.691
local terms energy: -149.949787
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -281.138240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.138240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.138240 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -88.981
Base-Backbone interact. energy: -3.065
local terms energy: -133.327475
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -319.200626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.200626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.200626 (E_RNA)
where:
Base-Base interactions energy: -193.292
where: short stacking energy: -91.632
Base-Backbone interact. energy: -0.667
local terms energy: -125.241492
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -226.358738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.358738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.358738 (E_RNA)
where:
Base-Base interactions energy: -117.224
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.142
local terms energy: -108.992890
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -168.176237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.176237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.176237 (E_RNA)
where:
Base-Base interactions energy: -60.080
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.644
local terms energy: -107.452625
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: 5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -596.033010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.033010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.033010 (E_RNA)
where:
Base-Base interactions energy: -395.897
where: short stacking energy: -195.583
Base-Backbone interact. energy: -0.117
local terms energy: -200.019430
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -61.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -545.963032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.963032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.963032 (E_RNA)
where:
Base-Base interactions energy: -349.444
where: short stacking energy: -173.818
Base-Backbone interact. energy: -0.010
local terms energy: -196.508649
where:
bonds (distance) C4'-P energy: -36.346
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -40.157
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -60.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -461.024458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.024458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.024458 (E_RNA)
where:
Base-Base interactions energy: -292.319
where: short stacking energy: -147.527
Base-Backbone interact. energy: 0.397
local terms energy: -169.103204
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -44.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -455.073771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.073771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.073771 (E_RNA)
where:
Base-Base interactions energy: -287.362
where: short stacking energy: -123.705
Base-Backbone interact. energy: -0.725
local terms energy: -166.987074
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -30.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -399.671130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.671130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.671130 (E_RNA)
where:
Base-Base interactions energy: -249.953
where: short stacking energy: -131.872
Base-Backbone interact. energy: 1.552
local terms energy: -151.269609
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -29.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -337.308707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.308707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.308707 (E_RNA)
where:
Base-Base interactions energy: -201.318
where: short stacking energy: -114.006
Base-Backbone interact. energy: -0.390
local terms energy: -135.600773
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -320.104452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.104452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.104452 (E_RNA)
where:
Base-Base interactions energy: -190.718
where: short stacking energy: -88.773
Base-Backbone interact. energy: -0.439
local terms energy: -128.947950
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -327.118017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.118017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.118017 (E_RNA)
where:
Base-Base interactions energy: -187.379
where: short stacking energy: -101.641
Base-Backbone interact. energy: -0.272
local terms energy: -139.466691
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -39.225
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -171.349741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.349741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.349741 (E_RNA)
where:
Base-Base interactions energy: -55.787
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.374
local terms energy: -115.188392
where:
bonds (distance) C4'-P energy: -38.835
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -152.338842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.338842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.338842 (E_RNA)
where:
Base-Base interactions energy: -57.370
where: short stacking energy: -38.630
Base-Backbone interact. energy: -1.085
local terms energy: -93.884502
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: 8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -582.845329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.845329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.845329 (E_RNA)
where:
Base-Base interactions energy: -384.809
where: short stacking energy: -188.288
Base-Backbone interact. energy: -0.144
local terms energy: -197.892536
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -38.679
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -58.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -525.967667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.967667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.967667 (E_RNA)
where:
Base-Base interactions energy: -344.583
where: short stacking energy: -163.615
Base-Backbone interact. energy: -0.688
local terms energy: -180.697111
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -52.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -468.606765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.606765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.606765 (E_RNA)
where:
Base-Base interactions energy: -293.166
where: short stacking energy: -146.399
Base-Backbone interact. energy: -1.334
local terms energy: -174.107012
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -425.970494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.970494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.970494 (E_RNA)
where:
Base-Base interactions energy: -278.445
where: short stacking energy: -120.277
Base-Backbone interact. energy: -1.003
local terms energy: -146.522768
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -38.523
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -32.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -348.612287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.612287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.612287 (E_RNA)
where:
Base-Base interactions energy: -209.226
where: short stacking energy: -105.062
Base-Backbone interact. energy: -0.597
local terms energy: -138.789392
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -399.560553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.560553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.560553 (E_RNA)
where:
Base-Base interactions energy: -241.066
where: short stacking energy: -134.607
Base-Backbone interact. energy: -0.830
local terms energy: -157.664802
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -32.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -364.798802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.798802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.798802 (E_RNA)
where:
Base-Base interactions energy: -221.778
where: short stacking energy: -116.278
Base-Backbone interact. energy: -0.206
local terms energy: -142.815125
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -33.332
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -283.755749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.755749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.755749 (E_RNA)
where:
Base-Base interactions energy: -165.883
where: short stacking energy: -81.886
Base-Backbone interact. energy: 0.123
local terms energy: -117.995660
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -256.029090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.029090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.029090 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -72.765
Base-Backbone interact. energy: 0.253
local terms energy: -108.880355
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -162.011257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.011257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.011257 (E_RNA)
where:
Base-Base interactions energy: -72.244
where: short stacking energy: -52.428
Base-Backbone interact. energy: 0.667
local terms energy: -90.434657
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: 11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -591.370246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.370246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.370246 (E_RNA)
where:
Base-Base interactions energy: -401.524
where: short stacking energy: -193.694
Base-Backbone interact. energy: -0.127
local terms energy: -189.719798
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -59.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -487.464184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.464184 (E_RNA)
where:
Base-Base interactions energy: -308.429
where: short stacking energy: -165.485
Base-Backbone interact. energy: -1.112
local terms energy: -177.923141
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -46.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -514.149724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.149724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.149724 (E_RNA)
where:
Base-Base interactions energy: -333.057
where: short stacking energy: -158.036
Base-Backbone interact. energy: -0.463
local terms energy: -180.630402
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -50.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -435.912858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.912858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.912858 (E_RNA)
where:
Base-Base interactions energy: -283.738
where: short stacking energy: -133.721
Base-Backbone interact. energy: -1.612
local terms energy: -150.562732
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -34.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -353.135028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.135028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.135028 (E_RNA)
where:
Base-Base interactions energy: -203.224
where: short stacking energy: -119.665
Base-Backbone interact. energy: -0.070
local terms energy: -149.841382
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -34.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -395.415674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.415674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.415674 (E_RNA)
where:
Base-Base interactions energy: -254.123
where: short stacking energy: -125.986
Base-Backbone interact. energy: -0.579
local terms energy: -140.713269
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -36.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -273.990253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.990253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.990253 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -77.434
Base-Backbone interact. energy: 0.434
local terms energy: -130.112513
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -264.018451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.018451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.018451 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -75.303
Base-Backbone interact. energy: -0.658
local terms energy: -114.498791
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -209.115728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.115728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.115728 (E_RNA)
where:
Base-Base interactions energy: -104.624
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.842
local terms energy: -103.649888
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -159.668820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.668820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.668820 (E_RNA)
where:
Base-Base interactions energy: -66.689
where: short stacking energy: -45.512
Base-Backbone interact. energy: -0.363
local terms energy: -92.616449
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: 8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -587.755028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.755028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.755028 (E_RNA)
where:
Base-Base interactions energy: -392.661
where: short stacking energy: -185.994
Base-Backbone interact. energy: 0.715
local terms energy: -195.809206
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -56.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -494.855624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.855624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.855624 (E_RNA)
where:
Base-Base interactions energy: -319.105
where: short stacking energy: -150.314
Base-Backbone interact. energy: 1.206
local terms energy: -176.957078
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -522.227800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.227800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.227800 (E_RNA)
where:
Base-Base interactions energy: -341.058
where: short stacking energy: -159.799
Base-Backbone interact. energy: -0.406
local terms energy: -180.764065
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -434.144282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.144282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.144282 (E_RNA)
where:
Base-Base interactions energy: -267.835
where: short stacking energy: -120.847
Base-Backbone interact. energy: -0.216
local terms energy: -166.093592
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -415.294889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.294889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.294889 (E_RNA)
where:
Base-Base interactions energy: -265.723
where: short stacking energy: -132.330
Base-Backbone interact. energy: 0.080
local terms energy: -149.652561
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -365.065852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.065852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.065852 (E_RNA)
where:
Base-Base interactions energy: -217.865
where: short stacking energy: -124.241
Base-Backbone interact. energy: -1.302
local terms energy: -145.899466
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -28.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -302.073211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.073211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.073211 (E_RNA)
where:
Base-Base interactions energy: -177.485
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.346
local terms energy: -124.242239
where:
bonds (distance) C4'-P energy: -34.791
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -245.427008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.427008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.427008 (E_RNA)
where:
Base-Base interactions energy: -138.033
where: short stacking energy: -87.689
Base-Backbone interact. energy: 2.926
local terms energy: -110.320274
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -277.626695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.626695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.626695 (E_RNA)
where:
Base-Base interactions energy: -145.207
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.218
local terms energy: -132.202240
where:
bonds (distance) C4'-P energy: -40.607
bonds (distance) P-C4' energy: -37.650
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -155.157629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.157629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.157629 (E_RNA)
where:
Base-Base interactions energy: -56.064
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.162
local terms energy: -98.931573
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: 5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -585.027034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.027034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.027034 (E_RNA)
where:
Base-Base interactions energy: -393.198
where: short stacking energy: -188.927
Base-Backbone interact. energy: -0.099
local terms energy: -191.729943
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -63.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -545.156439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.156439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.156439 (E_RNA)
where:
Base-Base interactions energy: -359.815
where: short stacking energy: -166.144
Base-Backbone interact. energy: -0.096
local terms energy: -185.245358
where:
bonds (distance) C4'-P energy: -35.675
bonds (distance) P-C4' energy: -38.976
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -50.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -474.257495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.257495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.257495 (E_RNA)
where:
Base-Base interactions energy: -291.893
where: short stacking energy: -142.017
Base-Backbone interact. energy: -1.117
local terms energy: -181.247567
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -455.367384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.367384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.367384 (E_RNA)
where:
Base-Base interactions energy: -288.487
where: short stacking energy: -121.760
Base-Backbone interact. energy: -0.650
local terms energy: -166.230300
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -39.154
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -34.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -393.927773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.927773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.927773 (E_RNA)
where:
Base-Base interactions energy: -244.066
where: short stacking energy: -112.277
Base-Backbone interact. energy: -0.798
local terms energy: -149.063494
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -32.184
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -29.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -362.403863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.403863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.403863 (E_RNA)
where:
Base-Base interactions energy: -217.974
where: short stacking energy: -109.683
Base-Backbone interact. energy: -2.448
local terms energy: -141.982427
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -340.332673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.332673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.332673 (E_RNA)
where:
Base-Base interactions energy: -197.011
where: short stacking energy: -95.266
Base-Backbone interact. energy: -0.183
local terms energy: -143.138660
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -277.496040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.496040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.496040 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -79.869
Base-Backbone interact. energy: -0.561
local terms energy: -131.836486
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -250.979977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.979977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.979977 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -62.442
Base-Backbone interact. energy: 1.498
local terms energy: -108.300732
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -166.203335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.203335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.203335 (E_RNA)
where:
Base-Base interactions energy: -59.336
where: short stacking energy: -48.028
Base-Backbone interact. energy: -0.740
local terms energy: -106.127743
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -34.319
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -596.676616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.676616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.676616 (E_RNA)
where:
Base-Base interactions energy: -396.410
where: short stacking energy: -181.996
Base-Backbone interact. energy: 0.468
local terms energy: -200.734978
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -57.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -531.733647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.733647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.733647 (E_RNA)
where:
Base-Base interactions energy: -348.926
where: short stacking energy: -162.692
Base-Backbone interact. energy: -0.599
local terms energy: -182.208025
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -51.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -489.313575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.313575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.313575 (E_RNA)
where:
Base-Base interactions energy: -322.262
where: short stacking energy: -146.501
Base-Backbone interact. energy: -0.638
local terms energy: -166.413663
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -433.123491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.123491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.123491 (E_RNA)
where:
Base-Base interactions energy: -274.944
where: short stacking energy: -125.069
Base-Backbone interact. energy: -0.776
local terms energy: -157.403032
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -33.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -413.485433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.485433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.485433 (E_RNA)
where:
Base-Base interactions energy: -263.495
where: short stacking energy: -129.000
Base-Backbone interact. energy: -1.522
local terms energy: -148.468488
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -39.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -334.492376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.492376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.492376 (E_RNA)
where:
Base-Base interactions energy: -188.306
where: short stacking energy: -98.115
Base-Backbone interact. energy: -0.111
local terms energy: -146.075801
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -334.257888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.257888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.257888 (E_RNA)
where:
Base-Base interactions energy: -190.474
where: short stacking energy: -102.265
Base-Backbone interact. energy: 0.736
local terms energy: -144.519081
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -39.458
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -251.601404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.601404 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -82.342
Base-Backbone interact. energy: -0.653
local terms energy: -129.666053
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -236.795943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.795943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.795943 (E_RNA)
where:
Base-Base interactions energy: -126.665
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.917
local terms energy: -109.213999
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -156.455831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.455831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.455831 (E_RNA)
where:
Base-Base interactions energy: -37.934
where: short stacking energy: -37.497
Base-Backbone interact. energy: -1.164
local terms energy: -117.358051
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: 2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -583.230747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.230747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.230747 (E_RNA)
where:
Base-Base interactions energy: -383.506
where: short stacking energy: -186.185
Base-Backbone interact. energy: -0.099
local terms energy: -199.625921
where:
bonds (distance) C4'-P energy: -37.171
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -36.266
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -59.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -476.186381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.186381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.186381 (E_RNA)
where:
Base-Base interactions energy: -306.908
where: short stacking energy: -138.794
Base-Backbone interact. energy: 0.246
local terms energy: -169.524954
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -33.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -507.599772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.599772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.599772 (E_RNA)
where:
Base-Base interactions energy: -328.127
where: short stacking energy: -157.355
Base-Backbone interact. energy: -0.920
local terms energy: -178.552712
where:
bonds (distance) C4'-P energy: -32.086
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -44.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -411.841501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.841501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.841501 (E_RNA)
where:
Base-Base interactions energy: -251.147
where: short stacking energy: -129.712
Base-Backbone interact. energy: 2.582
local terms energy: -163.276572
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -40.346
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -32.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -405.556731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.556731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.556731 (E_RNA)
where:
Base-Base interactions energy: -260.259
where: short stacking energy: -130.705
Base-Backbone interact. energy: 0.933
local terms energy: -146.230344
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -368.641204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.641204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.641204 (E_RNA)
where:
Base-Base interactions energy: -221.500
where: short stacking energy: -115.662
Base-Backbone interact. energy: -1.100
local terms energy: -146.041127
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -26.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -344.746253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.746253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.746253 (E_RNA)
where:
Base-Base interactions energy: -200.264
where: short stacking energy: -103.477
Base-Backbone interact. energy: -0.409
local terms energy: -144.073229
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -255.089894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.089894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.089894 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -66.106
Base-Backbone interact. energy: -1.522
local terms energy: -129.402802
where:
bonds (distance) C4'-P energy: -31.465
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -240.982840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.982840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.982840 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -74.418
Base-Backbone interact. energy: 3.213
local terms energy: -119.000624
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -145.754578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.754578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.754578 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -39.625
Base-Backbone interact. energy: 0.124
local terms energy: -99.061743
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: 4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -583.698786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.698786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.698786 (E_RNA)
where:
Base-Base interactions energy: -399.857
where: short stacking energy: -184.939
Base-Backbone interact. energy: -0.117
local terms energy: -183.724375
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -30.886
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -477.577242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.577242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.577242 (E_RNA)
where:
Base-Base interactions energy: -307.413
where: short stacking energy: -133.995
Base-Backbone interact. energy: 0.113
local terms energy: -170.276989
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -33.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -524.567231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.567231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.567231 (E_RNA)
where:
Base-Base interactions energy: -347.094
where: short stacking energy: -152.800
Base-Backbone interact. energy: -0.167
local terms energy: -177.306096
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -53.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -426.734714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.734714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.734714 (E_RNA)
where:
Base-Base interactions energy: -262.913
where: short stacking energy: -132.078
Base-Backbone interact. energy: 0.064
local terms energy: -163.885021
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -40.909
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -39.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -425.359403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.359403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.359403 (E_RNA)
where:
Base-Base interactions energy: -280.816
where: short stacking energy: -141.634
Base-Backbone interact. energy: 0.627
local terms energy: -145.169898
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -27.001
tors. eta vs tors. theta energy: -34.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -358.227506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.227506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.227506 (E_RNA)
where:
Base-Base interactions energy: -210.966
where: short stacking energy: -117.144
Base-Backbone interact. energy: -0.157
local terms energy: -147.104161
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -329.110313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.110313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.110313 (E_RNA)
where:
Base-Base interactions energy: -196.365
where: short stacking energy: -99.832
Base-Backbone interact. energy: -0.686
local terms energy: -132.059750
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -271.009778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.009778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.009778 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.948
local terms energy: -122.660964
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -166.115390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.115390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.115390 (E_RNA)
where:
Base-Base interactions energy: -70.197
where: short stacking energy: -58.387
Base-Backbone interact. energy: 1.735
local terms energy: -97.653404
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -201.082117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.082117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082117 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.739
local terms energy: -100.132924
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -26.507
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: 2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -579.417934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.417934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.417934 (E_RNA)
where:
Base-Base interactions energy: -388.326
where: short stacking energy: -186.715
Base-Backbone interact. energy: -0.103
local terms energy: -190.989034
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -54.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -527.127235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.127235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.127235 (E_RNA)
where:
Base-Base interactions energy: -345.617
where: short stacking energy: -161.206
Base-Backbone interact. energy: -0.729
local terms energy: -180.781776
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -47.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -465.723089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.723089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.723089 (E_RNA)
where:
Base-Base interactions energy: -304.800
where: short stacking energy: -135.351
Base-Backbone interact. energy: -1.485
local terms energy: -159.438066
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -34.186
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -40.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -404.373440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.373440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.373440 (E_RNA)
where:
Base-Base interactions energy: -241.094
where: short stacking energy: -123.934
Base-Backbone interact. energy: -0.177
local terms energy: -163.102137
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -423.492347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.492347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.492347 (E_RNA)
where:
Base-Base interactions energy: -271.413
where: short stacking energy: -134.841
Base-Backbone interact. energy: -0.276
local terms energy: -151.803722
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -41.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -329.312413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.312413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.312413 (E_RNA)
where:
Base-Base interactions energy: -183.469
where: short stacking energy: -89.506
Base-Backbone interact. energy: -0.205
local terms energy: -145.638614
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -332.558329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.558329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.558329 (E_RNA)
where:
Base-Base interactions energy: -203.725
where: short stacking energy: -113.519
Base-Backbone interact. energy: 4.167
local terms energy: -132.999702
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -246.922275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.922275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.922275 (E_RNA)
where:
Base-Base interactions energy: -131.729
where: short stacking energy: -75.116
Base-Backbone interact. energy: -0.863
local terms energy: -114.330791
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -172.242682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.242682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.242682 (E_RNA)
where:
Base-Base interactions energy: -69.920
where: short stacking energy: -59.042
Base-Backbone interact. energy: 0.968
local terms energy: -103.290917
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -163.297389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.297389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.297389 (E_RNA)
where:
Base-Base interactions energy: -65.893
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.303
local terms energy: -97.101401
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -588.856127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.856127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.856127 (E_RNA)
where:
Base-Base interactions energy: -383.611
where: short stacking energy: -192.800
Base-Backbone interact. energy: -0.064
local terms energy: -205.181023
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -41.541
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -59.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -522.301742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.301742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.301742 (E_RNA)
where:
Base-Base interactions energy: -344.617
where: short stacking energy: -160.392
Base-Backbone interact. energy: 1.148
local terms energy: -178.833234
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -30.729
tors. eta vs tors. theta energy: -46.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -465.224295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.224295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.224295 (E_RNA)
where:
Base-Base interactions energy: -294.927
where: short stacking energy: -132.188
Base-Backbone interact. energy: -0.487
local terms energy: -169.810176
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -412.232856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.232856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.232856 (E_RNA)
where:
Base-Base interactions energy: -251.812
where: short stacking energy: -114.401
Base-Backbone interact. energy: -1.044
local terms energy: -159.376876
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -398.112135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.112135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.112135 (E_RNA)
where:
Base-Base interactions energy: -245.491
where: short stacking energy: -114.724
Base-Backbone interact. energy: -0.348
local terms energy: -152.272965
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -39.041
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -331.109776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109776 (E_RNA)
where:
Base-Base interactions energy: -204.203
where: short stacking energy: -106.206
Base-Backbone interact. energy: -0.166
local terms energy: -126.740141
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -286.889716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.889716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.889716 (E_RNA)
where:
Base-Base interactions energy: -168.681
where: short stacking energy: -109.206
Base-Backbone interact. energy: -0.328
local terms energy: -117.879978
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -306.555576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.555576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.555576 (E_RNA)
where:
Base-Base interactions energy: -180.921
where: short stacking energy: -81.684
Base-Backbone interact. energy: -1.047
local terms energy: -124.587823
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -34.862
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -162.125267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.125267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.125267 (E_RNA)
where:
Base-Base interactions energy: -48.842
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.896
local terms energy: -112.387413
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -162.660288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.660288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.660288 (E_RNA)
where:
Base-Base interactions energy: -58.079
where: short stacking energy: -54.045
Base-Backbone interact. energy: -0.956
local terms energy: -103.624849
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -558.397154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.397154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.397154 (E_RNA)
where:
Base-Base interactions energy: -364.475
where: short stacking energy: -188.065
Base-Backbone interact. energy: -0.008
local terms energy: -193.914729
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -44.988
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -57.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -519.127376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.127376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.127376 (E_RNA)
where:
Base-Base interactions energy: -342.439
where: short stacking energy: -153.714
Base-Backbone interact. energy: -0.266
local terms energy: -176.422864
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -31.005
tors. eta vs tors. theta energy: -40.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -470.598775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.598775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.598775 (E_RNA)
where:
Base-Base interactions energy: -298.530
where: short stacking energy: -135.602
Base-Backbone interact. energy: -0.906
local terms energy: -171.162868
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -437.092486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.092486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.092486 (E_RNA)
where:
Base-Base interactions energy: -268.909
where: short stacking energy: -115.857
Base-Backbone interact. energy: -0.067
local terms energy: -168.115963
where:
bonds (distance) C4'-P energy: -34.554
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -45.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -399.082893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.082893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.082893 (E_RNA)
where:
Base-Base interactions energy: -248.338
where: short stacking energy: -105.108
Base-Backbone interact. energy: -1.299
local terms energy: -149.446037
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -26.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -345.394628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.394628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.394628 (E_RNA)
where:
Base-Base interactions energy: -201.225
where: short stacking energy: -111.805
Base-Backbone interact. energy: -0.326
local terms energy: -143.843925
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -308.571953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.571953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.571953 (E_RNA)
where:
Base-Base interactions energy: -188.869
where: short stacking energy: -81.600
Base-Backbone interact. energy: 0.750
local terms energy: -120.452825
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -302.239439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.239439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.239439 (E_RNA)
where:
Base-Base interactions energy: -174.305
where: short stacking energy: -90.795
Base-Backbone interact. energy: -2.457
local terms energy: -125.477586
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -163.555303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.555303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.555303 (E_RNA)
where:
Base-Base interactions energy: -65.382
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.837
local terms energy: -97.336493
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -177.060207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.060207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.060207 (E_RNA)
where:
Base-Base interactions energy: -58.383
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.746
local terms energy: -117.931090
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -562.914958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.914958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.914958 (E_RNA)
where:
Base-Base interactions energy: -361.575
where: short stacking energy: -190.467
Base-Backbone interact. energy: -0.048
local terms energy: -201.292023
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -57.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -546.645208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.645208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.645208 (E_RNA)
where:
Base-Base interactions energy: -355.144
where: short stacking energy: -168.847
Base-Backbone interact. energy: 0.845
local terms energy: -192.346157
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -52.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -474.205871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.205871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.205871 (E_RNA)
where:
Base-Base interactions energy: -308.805
where: short stacking energy: -132.176
Base-Backbone interact. energy: -0.895
local terms energy: -164.505324
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -411.705531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.705531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.705531 (E_RNA)
where:
Base-Base interactions energy: -263.864
where: short stacking energy: -135.107
Base-Backbone interact. energy: -0.226
local terms energy: -147.615154
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -34.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -402.822416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.822416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.822416 (E_RNA)
where:
Base-Base interactions energy: -243.171
where: short stacking energy: -138.249
Base-Backbone interact. energy: -0.915
local terms energy: -158.736601
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -31.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -339.799792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.799792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.799792 (E_RNA)
where:
Base-Base interactions energy: -194.308
where: short stacking energy: -102.513
Base-Backbone interact. energy: -0.116
local terms energy: -145.375942
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -314.650388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.650388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.650388 (E_RNA)
where:
Base-Base interactions energy: -170.057
where: short stacking energy: -85.942
Base-Backbone interact. energy: -1.785
local terms energy: -142.808698
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -276.843733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.843733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.843733 (E_RNA)
where:
Base-Base interactions energy: -160.771
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.141
local terms energy: -115.932446
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -201.772577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.772577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.772577 (E_RNA)
where:
Base-Base interactions energy: -92.656
where: short stacking energy: -59.349
Base-Backbone interact. energy: 0.586
local terms energy: -109.703248
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -168.894793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.894793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.894793 (E_RNA)
where:
Base-Base interactions energy: -65.783
where: short stacking energy: -43.043
Base-Backbone interact. energy: -0.939
local terms energy: -102.172765
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -570.610783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.610783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.610783 (E_RNA)
where:
Base-Base interactions energy: -378.644
where: short stacking energy: -180.720
Base-Backbone interact. energy: 0.204
local terms energy: -192.170355
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -54.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -546.950314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.950314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.950314 (E_RNA)
where:
Base-Base interactions energy: -361.025
where: short stacking energy: -159.523
Base-Backbone interact. energy: -0.080
local terms energy: -185.844553
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -50.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -456.372288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.372288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.372288 (E_RNA)
where:
Base-Base interactions energy: -294.247
where: short stacking energy: -129.345
Base-Backbone interact. energy: 0.449
local terms energy: -162.574169
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -416.591933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.591933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.591933 (E_RNA)
where:
Base-Base interactions energy: -260.082
where: short stacking energy: -143.712
Base-Backbone interact. energy: 0.117
local terms energy: -156.626329
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -38.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -401.099328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.099328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.099328 (E_RNA)
where:
Base-Base interactions energy: -265.124
where: short stacking energy: -119.587
Base-Backbone interact. energy: -0.702
local terms energy: -135.273464
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -28.449
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -31.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -347.457291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.457291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.457291 (E_RNA)
where:
Base-Base interactions energy: -203.626
where: short stacking energy: -104.337
Base-Backbone interact. energy: -0.283
local terms energy: -143.548411
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -345.496254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.496254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.496254 (E_RNA)
where:
Base-Base interactions energy: -209.767
where: short stacking energy: -100.684
Base-Backbone interact. energy: 0.756
local terms energy: -136.485645
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -274.655028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.655028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.655028 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -83.769
Base-Backbone interact. energy: -0.577
local terms energy: -125.415144
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -200.531419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.531419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.531419 (E_RNA)
where:
Base-Base interactions energy: -97.731
where: short stacking energy: -57.929
Base-Backbone interact. energy: 0.922
local terms energy: -103.722701
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -151.612410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.612410 (E_RNA)
where:
Base-Base interactions energy: -44.833
where: short stacking energy: -41.627
Base-Backbone interact. energy: 0.051
local terms energy: -106.830577
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: 4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -572.060727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.060727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.060727 (E_RNA)
where:
Base-Base interactions energy: -389.465
where: short stacking energy: -184.495
Base-Backbone interact. energy: 0.575
local terms energy: -183.170582
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -54.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -545.193528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.193528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.193528 (E_RNA)
where:
Base-Base interactions energy: -360.647
where: short stacking energy: -176.412
Base-Backbone interact. energy: -0.236
local terms energy: -184.310515
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -52.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -424.936275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.936275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.936275 (E_RNA)
where:
Base-Base interactions energy: -264.661
where: short stacking energy: -139.341
Base-Backbone interact. energy: -0.497
local terms energy: -159.778047
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -448.527500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.527500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.527500 (E_RNA)
where:
Base-Base interactions energy: -294.102
where: short stacking energy: -119.886
Base-Backbone interact. energy: -0.411
local terms energy: -154.014631
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -33.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -397.733342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.733342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.733342 (E_RNA)
where:
Base-Base interactions energy: -247.672
where: short stacking energy: -128.695
Base-Backbone interact. energy: 0.281
local terms energy: -150.341567
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -351.583947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.583947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.583947 (E_RNA)
where:
Base-Base interactions energy: -219.091
where: short stacking energy: -119.755
Base-Backbone interact. energy: -0.134
local terms energy: -132.358763
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -30.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -316.374582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.374582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.374582 (E_RNA)
where:
Base-Base interactions energy: -196.369
where: short stacking energy: -104.004
Base-Backbone interact. energy: -0.459
local terms energy: -119.546480
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -248.278099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.278099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.278099 (E_RNA)
where:
Base-Base interactions energy: -125.693
where: short stacking energy: -68.098
Base-Backbone interact. energy: -0.042
local terms energy: -122.542523
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -180.511433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.511433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.511433 (E_RNA)
where:
Base-Base interactions energy: -92.337
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.371
local terms energy: -87.803528
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -157.900991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.900991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.900991 (E_RNA)
where:
Base-Base interactions energy: -42.978
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.405
local terms energy: -114.517571
where:
bonds (distance) C4'-P energy: -38.230
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -570.693688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.693688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.693688 (E_RNA)
where:
Base-Base interactions energy: -380.526
where: short stacking energy: -183.095
Base-Backbone interact. energy: -0.125
local terms energy: -190.042443
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -54.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -538.108180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.108180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.108180 (E_RNA)
where:
Base-Base interactions energy: -356.383
where: short stacking energy: -161.563
Base-Backbone interact. energy: -0.909
local terms energy: -180.816598
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -49.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -435.210349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.210349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.210349 (E_RNA)
where:
Base-Base interactions energy: -266.897
where: short stacking energy: -140.022
Base-Backbone interact. energy: -0.510
local terms energy: -167.803695
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -415.682900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.682900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.682900 (E_RNA)
where:
Base-Base interactions energy: -248.825
where: short stacking energy: -128.420
Base-Backbone interact. energy: -1.272
local terms energy: -165.585498
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -31.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -409.824117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.824117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.824117 (E_RNA)
where:
Base-Base interactions energy: -268.936
where: short stacking energy: -127.912
Base-Backbone interact. energy: 1.029
local terms energy: -141.916928
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -350.324489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.324489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.324489 (E_RNA)
where:
Base-Base interactions energy: -209.783
where: short stacking energy: -110.045
Base-Backbone interact. energy: 0.276
local terms energy: -140.818112
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -328.919212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.919212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.919212 (E_RNA)
where:
Base-Base interactions energy: -183.953
where: short stacking energy: -96.908
Base-Backbone interact. energy: -0.278
local terms energy: -144.688484
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -34.999
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -252.419263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.419263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.419263 (E_RNA)
where:
Base-Base interactions energy: -142.971
where: short stacking energy: -74.217
Base-Backbone interact. energy: 1.088
local terms energy: -110.535775
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -184.920380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.920380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.920380 (E_RNA)
where:
Base-Base interactions energy: -74.920
where: short stacking energy: -57.294
Base-Backbone interact. energy: 5.131
local terms energy: -115.131825
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -152.465494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.465494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.465494 (E_RNA)
where:
Base-Base interactions energy: -46.343
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.588
local terms energy: -105.534662
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -583.267188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.267188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.267188 (E_RNA)
where:
Base-Base interactions energy: -381.670
where: short stacking energy: -185.897
Base-Backbone interact. energy: -0.767
local terms energy: -200.829407
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -39.733
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -54.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -526.980704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.980704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.980704 (E_RNA)
where:
Base-Base interactions energy: -358.683
where: short stacking energy: -170.167
Base-Backbone interact. energy: -0.247
local terms energy: -168.049951
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -55.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -424.003141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.003141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.003141 (E_RNA)
where:
Base-Base interactions energy: -269.780
where: short stacking energy: -132.456
Base-Backbone interact. energy: -0.131
local terms energy: -154.091604
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -38.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -423.635409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.635409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.635409 (E_RNA)
where:
Base-Base interactions energy: -253.856
where: short stacking energy: -140.934
Base-Backbone interact. energy: -0.170
local terms energy: -169.608944
where:
bonds (distance) C4'-P energy: -35.684
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -40.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -404.630224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.630224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.630224 (E_RNA)
where:
Base-Base interactions energy: -257.304
where: short stacking energy: -133.425
Base-Backbone interact. energy: -0.082
local terms energy: -147.244460
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -357.200050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.200050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.200050 (E_RNA)
where:
Base-Base interactions energy: -207.190
where: short stacking energy: -104.288
Base-Backbone interact. energy: -0.207
local terms energy: -149.803054
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -320.794376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.794376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.794376 (E_RNA)
where:
Base-Base interactions energy: -189.942
where: short stacking energy: -98.155
Base-Backbone interact. energy: -0.161
local terms energy: -130.691676
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -240.907435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.907435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.907435 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -73.823
Base-Backbone interact. energy: -0.075
local terms energy: -124.536381
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -180.820603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.820603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.820603 (E_RNA)
where:
Base-Base interactions energy: -73.818
where: short stacking energy: -65.348
Base-Backbone interact. energy: -0.234
local terms energy: -106.768275
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -154.216857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.216857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.216857 (E_RNA)
where:
Base-Base interactions energy: -63.705
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.569
local terms energy: -89.943633
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: 3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -577.103664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.103664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.103664 (E_RNA)
where:
Base-Base interactions energy: -392.083
where: short stacking energy: -187.675
Base-Backbone interact. energy: -0.136
local terms energy: -184.883953
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -39.098
flat angles P-C4'-P energy: -28.598
tors. eta vs tors. theta energy: -54.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -539.660315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.660315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.660315 (E_RNA)
where:
Base-Base interactions energy: -347.566
where: short stacking energy: -171.587
Base-Backbone interact. energy: -0.331
local terms energy: -191.763984
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -52.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -440.251062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.251062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.251062 (E_RNA)
where:
Base-Base interactions energy: -272.024
where: short stacking energy: -139.664
Base-Backbone interact. energy: -0.313
local terms energy: -167.913405
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -39.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -410.476694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.476694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.476694 (E_RNA)
where:
Base-Base interactions energy: -253.717
where: short stacking energy: -117.151
Base-Backbone interact. energy: -1.302
local terms energy: -155.457899
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -29.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -397.143529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.143529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.143529 (E_RNA)
where:
Base-Base interactions energy: -243.988
where: short stacking energy: -120.054
Base-Backbone interact. energy: 1.775
local terms energy: -154.930651
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -342.159208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.159208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.159208 (E_RNA)
where:
Base-Base interactions energy: -199.650
where: short stacking energy: -107.893
Base-Backbone interact. energy: -0.063
local terms energy: -142.446829
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -337.660578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.660578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.660578 (E_RNA)
where:
Base-Base interactions energy: -188.069
where: short stacking energy: -87.192
Base-Backbone interact. energy: -1.240
local terms energy: -148.351993
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -37.646
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -232.213191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.213191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.213191 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.826
local terms energy: -117.761554
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -230.484606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.484606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.484606 (E_RNA)
where:
Base-Base interactions energy: -113.066
where: short stacking energy: -56.071
Base-Backbone interact. energy: 0.368
local terms energy: -117.786657
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -160.414683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.414683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.414683 (E_RNA)
where:
Base-Base interactions energy: -53.598
where: short stacking energy: -50.335
Base-Backbone interact. energy: 0.769
local terms energy: -107.585124
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -545.602925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.602925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.602925 (E_RNA)
where:
Base-Base interactions energy: -351.211
where: short stacking energy: -166.968
Base-Backbone interact. energy: -0.176
local terms energy: -194.215318
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -50.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -568.494827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.494827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.494827 (E_RNA)
where:
Base-Base interactions energy: -368.790
where: short stacking energy: -187.552
Base-Backbone interact. energy: -0.234
local terms energy: -199.470186
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -43.880
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -59.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -458.773735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.773735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.773735 (E_RNA)
where:
Base-Base interactions energy: -281.601
where: short stacking energy: -143.697
Base-Backbone interact. energy: -0.178
local terms energy: -176.994453
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -43.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -419.997280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.997280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.997280 (E_RNA)
where:
Base-Base interactions energy: -270.111
where: short stacking energy: -143.502
Base-Backbone interact. energy: -0.891
local terms energy: -148.995954
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -39.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -408.124326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.124326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.124326 (E_RNA)
where:
Base-Base interactions energy: -258.007
where: short stacking energy: -118.832
Base-Backbone interact. energy: -0.837
local terms energy: -149.280965
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -342.327728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.327728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.327728 (E_RNA)
where:
Base-Base interactions energy: -216.297
where: short stacking energy: -111.627
Base-Backbone interact. energy: 6.090
local terms energy: -132.120046
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -358.017748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.017748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.017748 (E_RNA)
where:
Base-Base interactions energy: -204.303
where: short stacking energy: -97.969
Base-Backbone interact. energy: 0.157
local terms energy: -153.871785
where:
bonds (distance) C4'-P energy: -38.025
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -26.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -184.374746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.374746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.374746 (E_RNA)
where:
Base-Base interactions energy: -73.014
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.705
local terms energy: -110.655158
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -252.908867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.908867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.908867 (E_RNA)
where:
Base-Base interactions energy: -138.650
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.719
local terms energy: -113.539934
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -34.829
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -166.833312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.833312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.833312 (E_RNA)
where:
Base-Base interactions energy: -71.598
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.490
local terms energy: -94.744734
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: 1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -544.666581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.666581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.666581 (E_RNA)
where:
Base-Base interactions energy: -359.797
where: short stacking energy: -178.282
Base-Backbone interact. energy: 0.180
local terms energy: -185.048981
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -561.709681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.709681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.709681 (E_RNA)
where:
Base-Base interactions energy: -372.604
where: short stacking energy: -170.992
Base-Backbone interact. energy: -0.203
local terms energy: -188.902601
where:
bonds (distance) C4'-P energy: -35.751
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -55.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -450.038266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.038266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.038266 (E_RNA)
where:
Base-Base interactions energy: -277.346
where: short stacking energy: -159.530
Base-Backbone interact. energy: -0.322
local terms energy: -172.370660
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -453.499954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.499954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.499954 (E_RNA)
where:
Base-Base interactions energy: -292.077
where: short stacking energy: -133.688
Base-Backbone interact. energy: -0.237
local terms energy: -161.186830
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -38.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -395.751272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.751272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.751272 (E_RNA)
where:
Base-Base interactions energy: -256.291
where: short stacking energy: -121.804
Base-Backbone interact. energy: 0.012
local terms energy: -139.472500
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -25.593
tors. eta vs tors. theta energy: -29.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -352.896705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.896705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.896705 (E_RNA)
where:
Base-Base interactions energy: -215.337
where: short stacking energy: -104.159
Base-Backbone interact. energy: 0.082
local terms energy: -137.641142
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -35.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -308.991409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.991409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.991409 (E_RNA)
where:
Base-Base interactions energy: -175.399
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.390
local terms energy: -133.202199
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -257.720288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.720288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.720288 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -72.824
Base-Backbone interact. energy: -1.270
local terms energy: -109.433367
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -161.001982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.001982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.001982 (E_RNA)
where:
Base-Base interactions energy: -52.811
where: short stacking energy: -46.557
Base-Backbone interact. energy: -1.924
local terms energy: -106.266963
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -163.260506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.260506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.260506 (E_RNA)
where:
Base-Base interactions energy: -61.334
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.456
local terms energy: -101.470618
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -576.286036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.286036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.286036 (E_RNA)
where:
Base-Base interactions energy: -386.816
where: short stacking energy: -186.719
Base-Backbone interact. energy: -0.145
local terms energy: -189.324603
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -35.784
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -57.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -537.930136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.930136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.930136 (E_RNA)
where:
Base-Base interactions energy: -352.675
where: short stacking energy: -159.883
Base-Backbone interact. energy: -0.454
local terms energy: -184.800785
where:
bonds (distance) C4'-P energy: -35.846
bonds (distance) P-C4' energy: -34.122
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -52.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -483.075258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.075258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.075258 (E_RNA)
where:
Base-Base interactions energy: -301.230
where: short stacking energy: -132.784
Base-Backbone interact. energy: -1.200
local terms energy: -180.645399
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -39.031
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -33.050
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -431.746987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.746987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.746987 (E_RNA)
where:
Base-Base interactions energy: -263.793
where: short stacking energy: -146.667
Base-Backbone interact. energy: 0.467
local terms energy: -168.421471
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -39.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -415.352779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.352779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.352779 (E_RNA)
where:
Base-Base interactions energy: -269.751
where: short stacking energy: -121.988
Base-Backbone interact. energy: -1.447
local terms energy: -144.154411
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -37.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -369.196440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.196440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.196440 (E_RNA)
where:
Base-Base interactions energy: -236.631
where: short stacking energy: -114.848
Base-Backbone interact. energy: -0.438
local terms energy: -132.127634
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -319.679703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.679703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.679703 (E_RNA)
where:
Base-Base interactions energy: -196.924
where: short stacking energy: -101.990
Base-Backbone interact. energy: -0.576
local terms energy: -122.179860
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -276.330916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.330916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.330916 (E_RNA)
where:
Base-Base interactions energy: -155.377
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.124
local terms energy: -120.829947
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -184.182702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.182702 (E_RNA)
where:
Base-Base interactions energy: -70.755
where: short stacking energy: -54.588
Base-Backbone interact. energy: 1.955
local terms energy: -115.382522
where:
bonds (distance) C4'-P energy: -33.116
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -149.065081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.065081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.065081 (E_RNA)
where:
Base-Base interactions energy: -46.034
where: short stacking energy: -40.683
Base-Backbone interact. energy: -0.753
local terms energy: -102.277552
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -588.497032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.497032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.497032 (E_RNA)
where:
Base-Base interactions energy: -392.229
where: short stacking energy: -182.344
Base-Backbone interact. energy: -0.064
local terms energy: -196.204196
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -60.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -522.783460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.783460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.783460 (E_RNA)
where:
Base-Base interactions energy: -352.567
where: short stacking energy: -165.592
Base-Backbone interact. energy: -0.236
local terms energy: -169.980587
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -51.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -474.865824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.865824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.865824 (E_RNA)
where:
Base-Base interactions energy: -310.403
where: short stacking energy: -152.510
Base-Backbone interact. energy: 0.540
local terms energy: -165.002793
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -37.052
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -39.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -426.960935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.960935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.960935 (E_RNA)
where:
Base-Base interactions energy: -272.313
where: short stacking energy: -125.031
Base-Backbone interact. energy: -1.124
local terms energy: -153.523092
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -36.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -411.091059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.091059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.091059 (E_RNA)
where:
Base-Base interactions energy: -253.375
where: short stacking energy: -139.919
Base-Backbone interact. energy: -0.211
local terms energy: -157.505302
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -401.274383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.274383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.274383 (E_RNA)
where:
Base-Base interactions energy: -249.958
where: short stacking energy: -117.466
Base-Backbone interact. energy: -0.313
local terms energy: -151.003696
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -332.222997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.222997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.222997 (E_RNA)
where:
Base-Base interactions energy: -198.837
where: short stacking energy: -109.579
Base-Backbone interact. energy: 0.139
local terms energy: -133.525277
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -260.396341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.396341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.396341 (E_RNA)
where:
Base-Base interactions energy: -160.489
where: short stacking energy: -81.977
Base-Backbone interact. energy: 6.423
local terms energy: -106.330565
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -168.608801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.608801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.608801 (E_RNA)
where:
Base-Base interactions energy: -78.147
where: short stacking energy: -46.570
Base-Backbone interact. energy: 0.550
local terms energy: -91.012166
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -162.701130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.701130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.701130 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -57.394
Base-Backbone interact. energy: 0.207
local terms energy: -103.692148
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -583.931836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.931836 (E_RNA)
where:
Base-Base interactions energy: -391.351
where: short stacking energy: -192.555
Base-Backbone interact. energy: -0.007
local terms energy: -192.573743
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -40.337
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -59.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -528.808255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.808255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.808255 (E_RNA)
where:
Base-Base interactions energy: -352.819
where: short stacking energy: -170.559
Base-Backbone interact. energy: 1.312
local terms energy: -177.301715
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -474.347716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.347716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.347716 (E_RNA)
where:
Base-Base interactions energy: -322.114
where: short stacking energy: -153.170
Base-Backbone interact. energy: -0.035
local terms energy: -152.198655
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -34.346
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -41.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -428.227672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.227672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.227672 (E_RNA)
where:
Base-Base interactions energy: -265.739
where: short stacking energy: -145.378
Base-Backbone interact. energy: -0.958
local terms energy: -161.530554
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -41.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -408.015765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.015765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.015765 (E_RNA)
where:
Base-Base interactions energy: -252.455
where: short stacking energy: -116.388
Base-Backbone interact. energy: -0.275
local terms energy: -155.286373
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -33.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -401.187704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.187704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.187704 (E_RNA)
where:
Base-Base interactions energy: -248.862
where: short stacking energy: -121.816
Base-Backbone interact. energy: -0.651
local terms energy: -151.675531
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -34.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -255.481274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.481274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.481274 (E_RNA)
where:
Base-Base interactions energy: -151.907
where: short stacking energy: -82.866
Base-Backbone interact. energy: -0.397
local terms energy: -103.176913
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -335.010661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.010661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.010661 (E_RNA)
where:
Base-Base interactions energy: -203.876
where: short stacking energy: -90.851
Base-Backbone interact. energy: -0.619
local terms energy: -130.515829
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -30.891
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -171.964197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.964197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.964197 (E_RNA)
where:
Base-Base interactions energy: -57.806
where: short stacking energy: -48.885
Base-Backbone interact. energy: -0.641
local terms energy: -113.517518
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -156.947437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.947437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.947437 (E_RNA)
where:
Base-Base interactions energy: -68.024
where: short stacking energy: -61.491
Base-Backbone interact. energy: 2.164
local terms energy: -91.087308
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -576.602476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.602476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.602476 (E_RNA)
where:
Base-Base interactions energy: -388.791
where: short stacking energy: -182.189
Base-Backbone interact. energy: -0.073
local terms energy: -187.738508
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -56.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -537.424309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.424309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.424309 (E_RNA)
where:
Base-Base interactions energy: -342.516
where: short stacking energy: -178.598
Base-Backbone interact. energy: -0.029
local terms energy: -194.879528
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -51.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -489.555251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.555251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.555251 (E_RNA)
where:
Base-Base interactions energy: -329.136
where: short stacking energy: -152.357
Base-Backbone interact. energy: 1.461
local terms energy: -161.880610
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -432.901651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.901651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.901651 (E_RNA)
where:
Base-Base interactions energy: -265.703
where: short stacking energy: -142.574
Base-Backbone interact. energy: -0.899
local terms energy: -166.299563
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -37.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -396.723802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.723802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.723802 (E_RNA)
where:
Base-Base interactions energy: -246.312
where: short stacking energy: -107.543
Base-Backbone interact. energy: 2.139
local terms energy: -152.550775
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -29.288
tors. eta vs tors. theta energy: -27.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -380.605830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.605830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.605830 (E_RNA)
where:
Base-Base interactions energy: -213.765
where: short stacking energy: -108.716
Base-Backbone interact. energy: -0.248
local terms energy: -166.591926
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -35.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -278.128266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.128266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.128266 (E_RNA)
where:
Base-Base interactions energy: -143.961
where: short stacking energy: -76.849
Base-Backbone interact. energy: -1.029
local terms energy: -133.138625
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -296.512382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.512382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.512382 (E_RNA)
where:
Base-Base interactions energy: -181.974
where: short stacking energy: -89.110
Base-Backbone interact. energy: -0.439
local terms energy: -114.099627
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -156.900122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.900122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.900122 (E_RNA)
where:
Base-Base interactions energy: -55.354
where: short stacking energy: -50.833
Base-Backbone interact. energy: 1.100
local terms energy: -102.646015
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: 7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -172.541295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.541295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.541295 (E_RNA)
where:
Base-Base interactions energy: -75.499
where: short stacking energy: -45.377
Base-Backbone interact. energy: -1.121
local terms energy: -95.921204
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: 8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -587.806679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.806679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.806679 (E_RNA)
where:
Base-Base interactions energy: -396.301
where: short stacking energy: -194.137
Base-Backbone interact. energy: -0.049
local terms energy: -191.456327
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -40.444
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: -56.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -511.900952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.900952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.900952 (E_RNA)
where:
Base-Base interactions energy: -334.373
where: short stacking energy: -152.537
Base-Backbone interact. energy: -1.083
local terms energy: -176.445352
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -42.925
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -489.331913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.331913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.331913 (E_RNA)
where:
Base-Base interactions energy: -320.828
where: short stacking energy: -148.592
Base-Backbone interact. energy: 0.575
local terms energy: -169.078805
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -42.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -429.663279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.663279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.663279 (E_RNA)
where:
Base-Base interactions energy: -262.983
where: short stacking energy: -132.243
Base-Backbone interact. energy: -0.244
local terms energy: -166.435471
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -39.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -401.899628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.899628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.899628 (E_RNA)
where:
Base-Base interactions energy: -249.242
where: short stacking energy: -125.580
Base-Backbone interact. energy: 0.141
local terms energy: -152.798286
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -39.381
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -382.272466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.272466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.272466 (E_RNA)
where:
Base-Base interactions energy: -234.906
where: short stacking energy: -126.708
Base-Backbone interact. energy: -0.560
local terms energy: -146.807019
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -316.729555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.729555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.729555 (E_RNA)
where:
Base-Base interactions energy: -185.307
where: short stacking energy: -87.243
Base-Backbone interact. energy: -0.362
local terms energy: -131.061039
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -262.735315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.735315 (E_RNA)
where:
Base-Base interactions energy: -144.109
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.785
local terms energy: -117.841122
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -178.915801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.915801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.915801 (E_RNA)
where:
Base-Base interactions energy: -76.716
where: short stacking energy: -59.989
Base-Backbone interact. energy: 0.229
local terms energy: -102.428208
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -157.803075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.803075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.803075 (E_RNA)
where:
Base-Base interactions energy: -70.100
where: short stacking energy: -47.630
Base-Backbone interact. energy: 1.613
local terms energy: -89.316477
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: 3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -579.797230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.797230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.797230 (E_RNA)
where:
Base-Base interactions energy: -387.824
where: short stacking energy: -192.395
Base-Backbone interact. energy: -0.003
local terms energy: -191.970375
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: -60.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -530.806969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.806969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.806969 (E_RNA)
where:
Base-Base interactions energy: -355.517
where: short stacking energy: -173.814
Base-Backbone interact. energy: -0.960
local terms energy: -174.330236
where:
bonds (distance) C4'-P energy: -32.633
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -40.461
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -48.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -492.730210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.730210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.730210 (E_RNA)
where:
Base-Base interactions energy: -324.220
where: short stacking energy: -142.553
Base-Backbone interact. energy: -0.907
local terms energy: -167.603419
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -42.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -410.271344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.271344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.271344 (E_RNA)
where:
Base-Base interactions energy: -259.351
where: short stacking energy: -129.700
Base-Backbone interact. energy: 0.447
local terms energy: -151.367575
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: -31.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -405.933867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.933867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.933867 (E_RNA)
where:
Base-Base interactions energy: -253.488
where: short stacking energy: -126.264
Base-Backbone interact. energy: -0.562
local terms energy: -151.884122
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -39.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -373.115423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.115423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.115423 (E_RNA)
where:
Base-Base interactions energy: -234.294
where: short stacking energy: -111.139
Base-Backbone interact. energy: -0.431
local terms energy: -138.391210
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -326.256535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.256535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.256535 (E_RNA)
where:
Base-Base interactions energy: -191.303
where: short stacking energy: -98.696
Base-Backbone interact. energy: -0.329
local terms energy: -134.624642
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -274.021505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.021505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.021505 (E_RNA)
where:
Base-Base interactions energy: -138.581
where: short stacking energy: -75.615
Base-Backbone interact. energy: 0.336
local terms energy: -135.776248
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -162.368595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.368595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.368595 (E_RNA)
where:
Base-Base interactions energy: -55.219
where: short stacking energy: -52.632
Base-Backbone interact. energy: -1.146
local terms energy: -106.003917
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -168.418215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.418215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.418215 (E_RNA)
where:
Base-Base interactions energy: -49.978
where: short stacking energy: -50.276
Base-Backbone interact. energy: -0.454
local terms energy: -117.986414
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -569.752199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.752199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.752199 (E_RNA)
where:
Base-Base interactions energy: -371.083
where: short stacking energy: -168.507
Base-Backbone interact. energy: -0.064
local terms energy: -198.604985
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -39.306
flat angles C4'-P-C4' energy: -41.480
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -55.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -526.331428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.331428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.331428 (E_RNA)
where:
Base-Base interactions energy: -342.151
where: short stacking energy: -161.495
Base-Backbone interact. energy: -1.093
local terms energy: -183.086864
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -47.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -490.536017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.536017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.536017 (E_RNA)
where:
Base-Base interactions energy: -323.304
where: short stacking energy: -152.592
Base-Backbone interact. energy: -0.879
local terms energy: -166.352800
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -33.848
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -43.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -428.500774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.500774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.500774 (E_RNA)
where:
Base-Base interactions energy: -268.061
where: short stacking energy: -132.217
Base-Backbone interact. energy: -0.219
local terms energy: -160.220731
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -423.954361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.954361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.954361 (E_RNA)
where:
Base-Base interactions energy: -266.156
where: short stacking energy: -132.789
Base-Backbone interact. energy: -0.263
local terms energy: -157.535962
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -35.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -376.611496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.611496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.611496 (E_RNA)
where:
Base-Base interactions energy: -236.274
where: short stacking energy: -117.364
Base-Backbone interact. energy: -0.949
local terms energy: -139.388775
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -320.118428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.118428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.118428 (E_RNA)
where:
Base-Base interactions energy: -181.199
where: short stacking energy: -112.292
Base-Backbone interact. energy: 1.069
local terms energy: -139.988994
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -241.184621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.184621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.184621 (E_RNA)
where:
Base-Base interactions energy: -130.156
where: short stacking energy: -57.549
Base-Backbone interact. energy: 0.281
local terms energy: -111.309640
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -180.589345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.589345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.589345 (E_RNA)
where:
Base-Base interactions energy: -58.758
where: short stacking energy: -56.405
Base-Backbone interact. energy: -1.251
local terms energy: -120.581124
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -158.813031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813031 (E_RNA)
where:
Base-Base interactions energy: -58.672
where: short stacking energy: -49.506
Base-Backbone interact. energy: 1.519
local terms energy: -101.659773
where:
bonds (distance) C4'-P energy: -29.126
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -578.531050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.531050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.531050 (E_RNA)
where:
Base-Base interactions energy: -386.789
where: short stacking energy: -182.753
Base-Backbone interact. energy: -0.303
local terms energy: -191.439064
where:
bonds (distance) C4'-P energy: -39.762
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -56.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -544.764535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.764535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.764535 (E_RNA)
where:
Base-Base interactions energy: -360.940
where: short stacking energy: -157.863
Base-Backbone interact. energy: -0.461
local terms energy: -183.363623
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -39.929
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -459.350312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.350312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.350312 (E_RNA)
where:
Base-Base interactions energy: -293.496
where: short stacking energy: -139.566
Base-Backbone interact. energy: 0.336
local terms energy: -166.190513
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -433.466986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.466986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.466986 (E_RNA)
where:
Base-Base interactions energy: -283.795
where: short stacking energy: -142.525
Base-Backbone interact. energy: -0.035
local terms energy: -149.637182
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -35.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -412.999723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.999723 (E_RNA)
where:
Base-Base interactions energy: -248.627
where: short stacking energy: -129.687
Base-Backbone interact. energy: 0.510
local terms energy: -164.882566
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -36.554
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -375.649021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.649021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.649021 (E_RNA)
where:
Base-Base interactions energy: -220.282
where: short stacking energy: -118.305
Base-Backbone interact. energy: -3.606
local terms energy: -151.760628
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -29.686
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -29.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -321.974885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.974885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.974885 (E_RNA)
where:
Base-Base interactions energy: -187.443
where: short stacking energy: -94.520
Base-Backbone interact. energy: -0.391
local terms energy: -134.141493
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -178.450691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.450691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.450691 (E_RNA)
where:
Base-Base interactions energy: -66.998
where: short stacking energy: -67.478
Base-Backbone interact. energy: 0.173
local terms energy: -111.625573
where:
bonds (distance) C4'-P energy: -26.199
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -228.743262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.743262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.743262 (E_RNA)
where:
Base-Base interactions energy: -119.518
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.440
local terms energy: -108.785187
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -153.190331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.190331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.190331 (E_RNA)
where:
Base-Base interactions energy: -55.382
where: short stacking energy: -49.563
Base-Backbone interact. energy: -0.985
local terms energy: -96.823322
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: 4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -576.047405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.047405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.047405 (E_RNA)
where:
Base-Base interactions energy: -381.396
where: short stacking energy: -182.645
Base-Backbone interact. energy: 0.643
local terms energy: -195.294675
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -56.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -540.670159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.670159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.670159 (E_RNA)
where:
Base-Base interactions energy: -375.146
where: short stacking energy: -159.568
Base-Backbone interact. energy: -0.458
local terms energy: -165.066971
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -39.145
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -40.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -480.655416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.655416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.655416 (E_RNA)
where:
Base-Base interactions energy: -312.540
where: short stacking energy: -139.614
Base-Backbone interact. energy: -0.313
local terms energy: -167.802805
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -39.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -423.191551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.191551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.191551 (E_RNA)
where:
Base-Base interactions energy: -265.952
where: short stacking energy: -129.998
Base-Backbone interact. energy: -1.380
local terms energy: -155.858874
where:
bonds (distance) C4'-P energy: -33.719
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -35.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -424.857450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.857450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.857450 (E_RNA)
where:
Base-Base interactions energy: -271.981
where: short stacking energy: -120.278
Base-Backbone interact. energy: -0.666
local terms energy: -152.209567
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -37.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -355.071736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.071736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.071736 (E_RNA)
where:
Base-Base interactions energy: -219.738
where: short stacking energy: -103.164
Base-Backbone interact. energy: 0.800
local terms energy: -136.133159
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -330.574185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.574185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.574185 (E_RNA)
where:
Base-Base interactions energy: -190.137
where: short stacking energy: -102.322
Base-Backbone interact. energy: -0.438
local terms energy: -139.999208
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -174.838590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.838590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.838590 (E_RNA)
where:
Base-Base interactions energy: -61.740
where: short stacking energy: -48.740
Base-Backbone interact. energy: -0.615
local terms energy: -112.483647
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -223.735620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735620 (E_RNA)
where:
Base-Base interactions energy: -118.839
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.389
local terms energy: -104.507823
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -161.076224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.076224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.076224 (E_RNA)
where:
Base-Base interactions energy: -62.611
where: short stacking energy: -53.482
Base-Backbone interact. energy: -1.645
local terms energy: -96.820343
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -30.388
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -575.092417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.092417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.092417 (E_RNA)
where:
Base-Base interactions energy: -373.590
where: short stacking energy: -184.485
Base-Backbone interact. energy: 0.087
local terms energy: -201.589161
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -56.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -533.191817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.191817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.191817 (E_RNA)
where:
Base-Base interactions energy: -361.256
where: short stacking energy: -172.368
Base-Backbone interact. energy: -0.196
local terms energy: -171.740064
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -36.439
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -44.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -482.402516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.402516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.402516 (E_RNA)
where:
Base-Base interactions energy: -319.270
where: short stacking energy: -144.016
Base-Backbone interact. energy: -1.011
local terms energy: -162.121411
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -39.385
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -36.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -421.534667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.534667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.534667 (E_RNA)
where:
Base-Base interactions energy: -258.140
where: short stacking energy: -131.623
Base-Backbone interact. energy: 1.068
local terms energy: -164.463593
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -41.632
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -432.644030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.644030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.644030 (E_RNA)
where:
Base-Base interactions energy: -272.146
where: short stacking energy: -137.410
Base-Backbone interact. energy: -0.557
local terms energy: -159.941301
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -40.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -335.748502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.748502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.748502 (E_RNA)
where:
Base-Base interactions energy: -206.738
where: short stacking energy: -91.932
Base-Backbone interact. energy: -0.065
local terms energy: -128.944950
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -344.243754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.243754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.243754 (E_RNA)
where:
Base-Base interactions energy: -209.736
where: short stacking energy: -110.333
Base-Backbone interact. energy: 1.578
local terms energy: -136.085862
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -27.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -203.109457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.109457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.109457 (E_RNA)
where:
Base-Base interactions energy: -90.031
where: short stacking energy: -70.389
Base-Backbone interact. energy: 1.414
local terms energy: -114.492114
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -161.726406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.726406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.726406 (E_RNA)
where:
Base-Base interactions energy: -54.728
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.356
local terms energy: -106.642732
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -146.553309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.553309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.553309 (E_RNA)
where:
Base-Base interactions energy: -58.899
where: short stacking energy: -40.549
Base-Backbone interact. energy: 0.011
local terms energy: -87.665784
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -569.582150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.582150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.582150 (E_RNA)
where:
Base-Base interactions energy: -372.188
where: short stacking energy: -180.122
Base-Backbone interact. energy: -0.020
local terms energy: -197.374017
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -524.611855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.611855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.611855 (E_RNA)
where:
Base-Base interactions energy: -344.911
where: short stacking energy: -148.686
Base-Backbone interact. energy: 1.042
local terms energy: -180.742697
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -469.007424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.007424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.007424 (E_RNA)
where:
Base-Base interactions energy: -299.365
where: short stacking energy: -154.028
Base-Backbone interact. energy: -0.448
local terms energy: -169.194779
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -36.952
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -37.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -444.065251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.065251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.065251 (E_RNA)
where:
Base-Base interactions energy: -285.230
where: short stacking energy: -121.718
Base-Backbone interact. energy: -1.447
local terms energy: -157.387570
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -39.386
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -404.181716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.181716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.181716 (E_RNA)
where:
Base-Base interactions energy: -251.471
where: short stacking energy: -122.112
Base-Backbone interact. energy: -0.086
local terms energy: -152.624151
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -35.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -336.275686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.275686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.275686 (E_RNA)
where:
Base-Base interactions energy: -194.279
where: short stacking energy: -107.968
Base-Backbone interact. energy: -0.822
local terms energy: -141.174720
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -28.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -281.648667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.648667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.648667 (E_RNA)
where:
Base-Base interactions energy: -145.277
where: short stacking energy: -71.933
Base-Backbone interact. energy: -1.136
local terms energy: -135.235077
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -335.814921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.814921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.814921 (E_RNA)
where:
Base-Base interactions energy: -209.612
where: short stacking energy: -89.158
Base-Backbone interact. energy: -1.295
local terms energy: -124.907500
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -177.760405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.760405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.760405 (E_RNA)
where:
Base-Base interactions energy: -54.140
where: short stacking energy: -52.045
Base-Backbone interact. energy: -0.315
local terms energy: -123.305763
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -153.385853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.385853 (E_RNA)
where:
Base-Base interactions energy: -52.679
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.119
local terms energy: -100.587787
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: 10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -579.499757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.499757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.499757 (E_RNA)
where:
Base-Base interactions energy: -379.014
where: short stacking energy: -180.790
Base-Backbone interact. energy: -0.072
local terms energy: -200.414278
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -58.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -546.491776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.491776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.491776 (E_RNA)
where:
Base-Base interactions energy: -369.355
where: short stacking energy: -171.940
Base-Backbone interact. energy: -0.675
local terms energy: -176.461588
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -34.610
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: -47.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -467.922664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.922664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.922664 (E_RNA)
where:
Base-Base interactions energy: -294.205
where: short stacking energy: -149.506
Base-Backbone interact. energy: -0.336
local terms energy: -173.382527
where:
bonds (distance) C4'-P energy: -35.229
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -428.102152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.102152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.102152 (E_RNA)
where:
Base-Base interactions energy: -266.673
where: short stacking energy: -128.749
Base-Backbone interact. energy: -0.458
local terms energy: -160.970538
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -35.168
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -36.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -379.468128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.468128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.468128 (E_RNA)
where:
Base-Base interactions energy: -234.182
where: short stacking energy: -114.076
Base-Backbone interact. energy: -0.208
local terms energy: -145.078030
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -282.925235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.925235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.925235 (E_RNA)
where:
Base-Base interactions energy: -150.220
where: short stacking energy: -76.687
Base-Backbone interact. energy: 1.332
local terms energy: -134.036588
where:
bonds (distance) C4'-P energy: -30.371
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -369.927137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.927137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.927137 (E_RNA)
where:
Base-Base interactions energy: -226.565
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.364
local terms energy: -142.998448
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -305.008360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.008360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.008360 (E_RNA)
where:
Base-Base interactions energy: -197.101
where: short stacking energy: -94.989
Base-Backbone interact. energy: -1.644
local terms energy: -106.263494
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -168.020658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.020658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.020658 (E_RNA)
where:
Base-Base interactions energy: -61.222
where: short stacking energy: -55.298
Base-Backbone interact. energy: 0.077
local terms energy: -106.875506
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -154.270881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.270881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.270881 (E_RNA)
where:
Base-Base interactions energy: -52.428
where: short stacking energy: -52.211
Base-Backbone interact. energy: 2.335
local terms energy: -104.177772
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -574.350118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.350118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.350118 (E_RNA)
where:
Base-Base interactions energy: -378.783
where: short stacking energy: -189.511
Base-Backbone interact. energy: -0.016
local terms energy: -195.551484
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -41.143
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -58.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -537.278037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.278037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.278037 (E_RNA)
where:
Base-Base interactions energy: -356.267
where: short stacking energy: -157.477
Base-Backbone interact. energy: -0.179
local terms energy: -180.832320
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -38.314
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -50.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -457.195046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.195046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.195046 (E_RNA)
where:
Base-Base interactions energy: -288.497
where: short stacking energy: -135.389
Base-Backbone interact. energy: -0.796
local terms energy: -167.901951
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -32.466
flat angles C4'-P-C4' energy: -35.875
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -39.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -442.633424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.633424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.633424 (E_RNA)
where:
Base-Base interactions energy: -271.815
where: short stacking energy: -134.904
Base-Backbone interact. energy: -0.335
local terms energy: -170.483354
where:
bonds (distance) C4'-P energy: -38.019
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -44.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -405.185855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.185855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.185855 (E_RNA)
where:
Base-Base interactions energy: -253.762
where: short stacking energy: -134.888
Base-Backbone interact. energy: -1.400
local terms energy: -150.023456
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -251.854188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.854188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.854188 (E_RNA)
where:
Base-Base interactions energy: -120.538
where: short stacking energy: -85.342
Base-Backbone interact. energy: -1.529
local terms energy: -129.786692
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -410.404267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.404267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.404267 (E_RNA)
where:
Base-Base interactions energy: -271.860
where: short stacking energy: -141.009
Base-Backbone interact. energy: -0.205
local terms energy: -138.339655
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -41.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -248.957007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.957007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.957007 (E_RNA)
where:
Base-Base interactions energy: -129.786
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.561
local terms energy: -118.610176
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -37.519
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -176.939473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.939473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.939473 (E_RNA)
where:
Base-Base interactions energy: -67.684
where: short stacking energy: -50.684
Base-Backbone interact. energy: 1.011
local terms energy: -110.266358
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -185.738059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.738059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.738059 (E_RNA)
where:
Base-Base interactions energy: -83.540
where: short stacking energy: -52.165
Base-Backbone interact. energy: -0.450
local terms energy: -101.747803
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -576.895728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.895728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.895728 (E_RNA)
where:
Base-Base interactions energy: -379.362
where: short stacking energy: -187.958
Base-Backbone interact. energy: -0.037
local terms energy: -197.496567
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -537.822167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.822167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.822167 (E_RNA)
where:
Base-Base interactions energy: -354.155
where: short stacking energy: -161.913
Base-Backbone interact. energy: -1.100
local terms energy: -182.566602
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -35.056
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -461.216491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.216491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.216491 (E_RNA)
where:
Base-Base interactions energy: -292.626
where: short stacking energy: -154.327
Base-Backbone interact. energy: 0.489
local terms energy: -169.079982
where:
bonds (distance) C4'-P energy: -32.034
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -42.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -445.069747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.069747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.069747 (E_RNA)
where:
Base-Base interactions energy: -274.592
where: short stacking energy: -122.949
Base-Backbone interact. energy: 0.750
local terms energy: -171.227836
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -35.603
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -44.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -389.979974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.979974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.979974 (E_RNA)
where:
Base-Base interactions energy: -246.299
where: short stacking energy: -113.033
Base-Backbone interact. energy: -0.676
local terms energy: -143.005395
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -27.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -427.547240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.547240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.547240 (E_RNA)
where:
Base-Base interactions energy: -265.694
where: short stacking energy: -122.859
Base-Backbone interact. energy: -0.014
local terms energy: -161.838711
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -39.446
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -37.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -275.318871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.318871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.318871 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -99.469
Base-Backbone interact. energy: -0.485
local terms energy: -120.803158
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -233.046631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.046631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.046631 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.695
local terms energy: -120.778137
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -179.623818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.623818 (E_RNA)
where:
Base-Base interactions energy: -77.555
where: short stacking energy: -69.016
Base-Backbone interact. energy: -0.709
local terms energy: -101.359749
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -168.769882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.769882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.769882 (E_RNA)
where:
Base-Base interactions energy: -54.342
where: short stacking energy: -45.634
Base-Backbone interact. energy: 0.824
local terms energy: -115.251501
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -39.544
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -565.574781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.574781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.574781 (E_RNA)
where:
Base-Base interactions energy: -366.928
where: short stacking energy: -179.492
Base-Backbone interact. energy: -0.109
local terms energy: -198.538110
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -29.857
tors. eta vs tors. theta energy: -54.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -531.506875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.506875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.506875 (E_RNA)
where:
Base-Base interactions energy: -349.685
where: short stacking energy: -161.937
Base-Backbone interact. energy: -0.244
local terms energy: -181.578779
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -52.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -499.501295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.501295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.501295 (E_RNA)
where:
Base-Base interactions energy: -315.888
where: short stacking energy: -150.413
Base-Backbone interact. energy: -0.035
local terms energy: -183.577461
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -52.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -430.969361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.969361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.969361 (E_RNA)
where:
Base-Base interactions energy: -275.516
where: short stacking energy: -126.509
Base-Backbone interact. energy: -0.047
local terms energy: -155.405962
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -37.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -419.493510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.493510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.493510 (E_RNA)
where:
Base-Base interactions energy: -266.005
where: short stacking energy: -142.329
Base-Backbone interact. energy: -0.354
local terms energy: -153.135125
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -38.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -405.029270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.029270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.029270 (E_RNA)
where:
Base-Base interactions energy: -242.944
where: short stacking energy: -132.552
Base-Backbone interact. energy: -0.293
local terms energy: -161.792429
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -36.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -293.847919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.847919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.847919 (E_RNA)
where:
Base-Base interactions energy: -159.739
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.710
local terms energy: -133.399190
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -171.358354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.358354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.358354 (E_RNA)
where:
Base-Base interactions energy: -76.865
where: short stacking energy: -37.952
Base-Backbone interact. energy: -0.864
local terms energy: -93.629389
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: 6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -171.346610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.346610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.346610 (E_RNA)
where:
Base-Base interactions energy: -67.677
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.080
local terms energy: -103.589029
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -170.229449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.229449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.229449 (E_RNA)
where:
Base-Base interactions energy: -75.149
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.189
local terms energy: -94.891165
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -580.589660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.589660 (E_RNA)
where:
Base-Base interactions energy: -389.929
where: short stacking energy: -180.350
Base-Backbone interact. energy: -0.335
local terms energy: -190.326114
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -40.205
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -54.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -547.909517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.909517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.909517 (E_RNA)
where:
Base-Base interactions energy: -359.311
where: short stacking energy: -163.862
Base-Backbone interact. energy: -1.218
local terms energy: -187.380644
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -483.290080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.290080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.290080 (E_RNA)
where:
Base-Base interactions energy: -308.071
where: short stacking energy: -150.758
Base-Backbone interact. energy: -0.073
local terms energy: -175.146345
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -48.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -435.420011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.420011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.420011 (E_RNA)
where:
Base-Base interactions energy: -276.478
where: short stacking energy: -138.149
Base-Backbone interact. energy: -0.109
local terms energy: -158.832853
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -40.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -428.084848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.084848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.084848 (E_RNA)
where:
Base-Base interactions energy: -270.616
where: short stacking energy: -138.375
Base-Backbone interact. energy: -0.390
local terms energy: -157.079181
where:
bonds (distance) C4'-P energy: -33.375
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -40.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -397.197807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.197807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.197807 (E_RNA)
where:
Base-Base interactions energy: -250.014
where: short stacking energy: -123.691
Base-Backbone interact. energy: -0.167
local terms energy: -147.016429
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -301.536018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.536018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.536018 (E_RNA)
where:
Base-Base interactions energy: -178.463
where: short stacking energy: -90.738
Base-Backbone interact. energy: 0.826
local terms energy: -123.898926
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -174.383883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.383883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.383883 (E_RNA)
where:
Base-Base interactions energy: -63.163
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.523
local terms energy: -110.697973
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -189.949150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949150 (E_RNA)
where:
Base-Base interactions energy: -88.459
where: short stacking energy: -45.983
Base-Backbone interact. energy: -0.161
local terms energy: -101.329022
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -140.423397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.423397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.423397 (E_RNA)
where:
Base-Base interactions energy: -50.753
where: short stacking energy: -35.991
Base-Backbone interact. energy: -0.254
local terms energy: -89.416578
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: 9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -578.641735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.641735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.641735 (E_RNA)
where:
Base-Base interactions energy: -392.649
where: short stacking energy: -185.419
Base-Backbone interact. energy: -1.246
local terms energy: -184.746447
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -550.598670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.598670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.598670 (E_RNA)
where:
Base-Base interactions energy: -349.832
where: short stacking energy: -168.560
Base-Backbone interact. energy: -0.637
local terms energy: -200.129600
where:
bonds (distance) C4'-P energy: -34.539
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -54.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -445.048394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.048394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.048394 (E_RNA)
where:
Base-Base interactions energy: -292.385
where: short stacking energy: -130.831
Base-Backbone interact. energy: -0.477
local terms energy: -152.186050
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -32.942
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -480.870563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.870563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.870563 (E_RNA)
where:
Base-Base interactions energy: -303.875
where: short stacking energy: -148.245
Base-Backbone interact. energy: 2.027
local terms energy: -179.023087
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -40.216
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -48.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -399.941248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.941248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.941248 (E_RNA)
where:
Base-Base interactions energy: -248.755
where: short stacking energy: -120.194
Base-Backbone interact. energy: -0.278
local terms energy: -150.908085
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -34.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -436.544376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.544376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.544376 (E_RNA)
where:
Base-Base interactions energy: -271.087
where: short stacking energy: -128.748
Base-Backbone interact. energy: -0.150
local terms energy: -165.307505
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -303.291299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.291299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.291299 (E_RNA)
where:
Base-Base interactions energy: -164.203
where: short stacking energy: -81.076
Base-Backbone interact. energy: 0.091
local terms energy: -139.179539
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -196.560967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560967 (E_RNA)
where:
Base-Base interactions energy: -70.304
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.300
local terms energy: -125.957180
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -174.661067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.661067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.661067 (E_RNA)
where:
Base-Base interactions energy: -80.483
where: short stacking energy: -56.295
Base-Backbone interact. energy: 0.494
local terms energy: -94.671906
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -200.403328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.403328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.403328 (E_RNA)
where:
Base-Base interactions energy: -95.432
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.955
local terms energy: -104.015835
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -575.282017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.282017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.282017 (E_RNA)
where:
Base-Base interactions energy: -378.242
where: short stacking energy: -175.275
Base-Backbone interact. energy: -0.022
local terms energy: -197.018944
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -37.909
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -58.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -476.241911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.241911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.241911 (E_RNA)
where:
Base-Base interactions energy: -301.712
where: short stacking energy: -148.892
Base-Backbone interact. energy: -0.194
local terms energy: -174.335133
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -537.162742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.162742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.162742 (E_RNA)
where:
Base-Base interactions energy: -351.894
where: short stacking energy: -154.012
Base-Backbone interact. energy: -0.070
local terms energy: -185.198232
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -27.707
tors. eta vs tors. theta energy: -49.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -475.752457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.752457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.752457 (E_RNA)
where:
Base-Base interactions energy: -310.250
where: short stacking energy: -144.645
Base-Backbone interact. energy: -0.257
local terms energy: -165.245331
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -45.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -407.138974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.138974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.138974 (E_RNA)
where:
Base-Base interactions energy: -248.171
where: short stacking energy: -123.706
Base-Backbone interact. energy: -0.210
local terms energy: -158.757941
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -33.900
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -39.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -417.225172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.225172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.225172 (E_RNA)
where:
Base-Base interactions energy: -267.084
where: short stacking energy: -135.233
Base-Backbone interact. energy: -0.021
local terms energy: -150.120354
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -43.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -290.688579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.688579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.688579 (E_RNA)
where:
Base-Base interactions energy: -172.423
where: short stacking energy: -92.360
Base-Backbone interact. energy: -0.343
local terms energy: -117.923093
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -181.656747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.656747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.656747 (E_RNA)
where:
Base-Base interactions energy: -70.984
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.180
local terms energy: -110.492679
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -157.920603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.920603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.920603 (E_RNA)
where:
Base-Base interactions energy: -52.833
where: short stacking energy: -51.219
Base-Backbone interact. energy: 0.802
local terms energy: -105.890184
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: 1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -155.942101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.942101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.942101 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.531
local terms energy: -111.627096
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -576.538372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.538372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.538372 (E_RNA)
where:
Base-Base interactions energy: -369.231
where: short stacking energy: -188.440
Base-Backbone interact. energy: -0.138
local terms energy: -207.169716
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -43.362
flat angles P-C4'-P energy: -27.901
tors. eta vs tors. theta energy: -60.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -480.880186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.880186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.880186 (E_RNA)
where:
Base-Base interactions energy: -302.347
where: short stacking energy: -156.052
Base-Backbone interact. energy: -0.689
local terms energy: -177.843879
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -485.159570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.159570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.159570 (E_RNA)
where:
Base-Base interactions energy: -301.695
where: short stacking energy: -144.333
Base-Backbone interact. energy: -0.275
local terms energy: -183.189290
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -36.721
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -519.220958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.220958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.220958 (E_RNA)
where:
Base-Base interactions energy: -338.600
where: short stacking energy: -162.736
Base-Backbone interact. energy: -0.245
local terms energy: -180.375824
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -54.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -435.555776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.555776 (E_RNA)
where:
Base-Base interactions energy: -260.166
where: short stacking energy: -125.199
Base-Backbone interact. energy: -0.733
local terms energy: -174.657227
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -39.048
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -37.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -407.458419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.458419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.458419 (E_RNA)
where:
Base-Base interactions energy: -261.400
where: short stacking energy: -111.023
Base-Backbone interact. energy: -0.182
local terms energy: -145.876388
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -31.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -309.450877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.450877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.450877 (E_RNA)
where:
Base-Base interactions energy: -194.168
where: short stacking energy: -109.275
Base-Backbone interact. energy: -0.462
local terms energy: -114.820880
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -199.997057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.997057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.997057 (E_RNA)
where:
Base-Base interactions energy: -86.048
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.757
local terms energy: -113.192314
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -179.977819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.977819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.977819 (E_RNA)
where:
Base-Base interactions energy: -87.158
where: short stacking energy: -83.858
Base-Backbone interact. energy: -0.041
local terms energy: -92.778063
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -166.323309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.323309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.323309 (E_RNA)
where:
Base-Base interactions energy: -68.223
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.650
local terms energy: -97.450079
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -579.360559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.360559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.360559 (E_RNA)
where:
Base-Base interactions energy: -380.276
where: short stacking energy: -179.266
Base-Backbone interact. energy: -0.060
local terms energy: -199.025083
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -58.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -501.905808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.905808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.905808 (E_RNA)
where:
Base-Base interactions energy: -324.960
where: short stacking energy: -156.027
Base-Backbone interact. energy: -1.428
local terms energy: -175.517534
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: -48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -457.081047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.081047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.081047 (E_RNA)
where:
Base-Base interactions energy: -287.898
where: short stacking energy: -142.175
Base-Backbone interact. energy: -0.227
local terms energy: -168.955681
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -37.497
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -37.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -509.101406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.101406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.101406 (E_RNA)
where:
Base-Base interactions energy: -338.312
where: short stacking energy: -151.450
Base-Backbone interact. energy: -0.570
local terms energy: -170.219522
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -431.313824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.313824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.313824 (E_RNA)
where:
Base-Base interactions energy: -272.791
where: short stacking energy: -126.007
Base-Backbone interact. energy: -1.445
local terms energy: -157.078107
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -37.521
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -376.270857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.270857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.270857 (E_RNA)
where:
Base-Base interactions energy: -240.203
where: short stacking energy: -119.756
Base-Backbone interact. energy: -0.547
local terms energy: -135.520839
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -322.412086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.412086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.412086 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -89.670
Base-Backbone interact. energy: -0.244
local terms energy: -129.375250
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -177.708484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.708484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.708484 (E_RNA)
where:
Base-Base interactions energy: -75.764
where: short stacking energy: -62.070
Base-Backbone interact. energy: 0.141
local terms energy: -102.085517
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -203.106970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.106970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.106970 (E_RNA)
where:
Base-Base interactions energy: -95.584
where: short stacking energy: -71.387
Base-Backbone interact. energy: 0.434
local terms energy: -107.957492
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -149.747287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.747287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.747287 (E_RNA)
where:
Base-Base interactions energy: -59.696
where: short stacking energy: -42.667
Base-Backbone interact. energy: -1.856
local terms energy: -88.194767
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: 9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -570.037176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.037176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.037176 (E_RNA)
where:
Base-Base interactions energy: -392.059
where: short stacking energy: -184.436
Base-Backbone interact. energy: -0.118
local terms energy: -177.860720
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -41.276
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -53.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -500.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.490308 (E_RNA)
where:
Base-Base interactions energy: -318.960
where: short stacking energy: -152.632
Base-Backbone interact. energy: -0.021
local terms energy: -181.508607
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -39.800
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -44.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -534.744759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.744759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.744759 (E_RNA)
where:
Base-Base interactions energy: -338.242
where: short stacking energy: -162.776
Base-Backbone interact. energy: -0.272
local terms energy: -196.230076
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -51.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -457.528830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.528830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.528830 (E_RNA)
where:
Base-Base interactions energy: -285.804
where: short stacking energy: -137.553
Base-Backbone interact. energy: -0.427
local terms energy: -171.298249
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -424.611466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.611466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.611466 (E_RNA)
where:
Base-Base interactions energy: -270.777
where: short stacking energy: -133.763
Base-Backbone interact. energy: -0.496
local terms energy: -153.337825
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -365.973591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.973591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.973591 (E_RNA)
where:
Base-Base interactions energy: -227.144
where: short stacking energy: -121.060
Base-Backbone interact. energy: -0.136
local terms energy: -138.693793
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -307.992484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.992484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.992484 (E_RNA)
where:
Base-Base interactions energy: -177.305
where: short stacking energy: -95.998
Base-Backbone interact. energy: -1.295
local terms energy: -129.392502
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -225.687650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.687650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.687650 (E_RNA)
where:
Base-Base interactions energy: -102.288
where: short stacking energy: -58.658
Base-Backbone interact. energy: -1.232
local terms energy: -122.167438
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -159.547836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.547836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.547836 (E_RNA)
where:
Base-Base interactions energy: -62.482
where: short stacking energy: -34.652
Base-Backbone interact. energy: -2.115
local terms energy: -94.950949
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -177.848635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.848635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.848635 (E_RNA)
where:
Base-Base interactions energy: -77.574
where: short stacking energy: -53.483
Base-Backbone interact. energy: -0.736
local terms energy: -99.538653
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -577.731227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.731227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.731227 (E_RNA)
where:
Base-Base interactions energy: -378.235
where: short stacking energy: -188.537
Base-Backbone interact. energy: -0.125
local terms energy: -199.371203
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -43.463
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -58.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -542.984783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.984783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.984783 (E_RNA)
where:
Base-Base interactions energy: -357.310
where: short stacking energy: -175.198
Base-Backbone interact. energy: -2.492
local terms energy: -183.182683
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -52.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -487.191643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.191643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.191643 (E_RNA)
where:
Base-Base interactions energy: -314.809
where: short stacking energy: -151.690
Base-Backbone interact. energy: -0.108
local terms energy: -172.274725
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -43.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -441.253124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.253124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.253124 (E_RNA)
where:
Base-Base interactions energy: -273.117
where: short stacking energy: -151.231
Base-Backbone interact. energy: -0.238
local terms energy: -167.898769
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -395.608769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.608769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.608769 (E_RNA)
where:
Base-Base interactions energy: -250.135
where: short stacking energy: -126.094
Base-Backbone interact. energy: 1.355
local terms energy: -146.829351
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -368.645173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.645173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.645173 (E_RNA)
where:
Base-Base interactions energy: -209.008
where: short stacking energy: -109.710
Base-Backbone interact. energy: -0.398
local terms energy: -159.239029
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -31.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -308.207880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.207880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.207880 (E_RNA)
where:
Base-Base interactions energy: -173.181
where: short stacking energy: -81.184
Base-Backbone interact. energy: -0.612
local terms energy: -134.414498
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -229.657115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657115 (E_RNA)
where:
Base-Base interactions energy: -123.058
where: short stacking energy: -52.572
Base-Backbone interact. energy: -1.018
local terms energy: -105.581151
where:
bonds (distance) C4'-P energy: -30.965
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: 0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -169.721977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.721977 (E_RNA)
where:
Base-Base interactions energy: -52.146
where: short stacking energy: -41.857
Base-Backbone interact. energy: 0.370
local terms energy: -117.946367
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: 1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -144.606844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.606844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.606844 (E_RNA)
where:
Base-Base interactions energy: -55.104
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.162
local terms energy: -89.341007
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -35.396
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -576.874911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.874911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.874911 (E_RNA)
where:
Base-Base interactions energy: -384.185
where: short stacking energy: -181.682
Base-Backbone interact. energy: -0.032
local terms energy: -192.657272
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -39.307
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -59.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -551.860396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.860396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.860396 (E_RNA)
where:
Base-Base interactions energy: -361.476
where: short stacking energy: -165.927
Base-Backbone interact. energy: -0.954
local terms energy: -189.430850
where:
bonds (distance) C4'-P energy: -36.606
bonds (distance) P-C4' energy: -39.582
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -47.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -459.646833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.646833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.646833 (E_RNA)
where:
Base-Base interactions energy: -288.008
where: short stacking energy: -147.041
Base-Backbone interact. energy: -1.527
local terms energy: -170.111732
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -482.648751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.648751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.648751 (E_RNA)
where:
Base-Base interactions energy: -301.299
where: short stacking energy: -142.874
Base-Backbone interact. energy: -0.117
local terms energy: -181.232780
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -37.628
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -47.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -405.218811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.218811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.218811 (E_RNA)
where:
Base-Base interactions energy: -248.315
where: short stacking energy: -122.183
Base-Backbone interact. energy: -0.609
local terms energy: -156.294695
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -36.986
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -39.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -397.946902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.946902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.946902 (E_RNA)
where:
Base-Base interactions energy: -256.184
where: short stacking energy: -107.453
Base-Backbone interact. energy: -0.267
local terms energy: -141.495496
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -34.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -324.311888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.311888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.311888 (E_RNA)
where:
Base-Base interactions energy: -172.706
where: short stacking energy: -78.941
Base-Backbone interact. energy: -1.835
local terms energy: -149.770259
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -246.451299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.451299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.451299 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -85.294
Base-Backbone interact. energy: 1.308
local terms energy: -95.033641
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: 0.249
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -192.565025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.565025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.565025 (E_RNA)
where:
Base-Base interactions energy: -96.331
where: short stacking energy: -47.841
Base-Backbone interact. energy: -0.611
local terms energy: -95.622378
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -30.723
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -166.515824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.515824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.515824 (E_RNA)
where:
Base-Base interactions energy: -64.265
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.646
local terms energy: -101.604237
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -577.917749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.917749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.917749 (E_RNA)
where:
Base-Base interactions energy: -377.792
where: short stacking energy: -172.643
Base-Backbone interact. energy: -0.051
local terms energy: -200.074484
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -40.048
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -57.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -546.238179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.238179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.238179 (E_RNA)
where:
Base-Base interactions energy: -368.006
where: short stacking energy: -162.905
Base-Backbone interact. energy: -0.264
local terms energy: -177.967917
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -38.404
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -55.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -475.179904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.179904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.179904 (E_RNA)
where:
Base-Base interactions energy: -302.410
where: short stacking energy: -152.332
Base-Backbone interact. energy: -0.668
local terms energy: -172.101859
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -43.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -477.115705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.115705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.115705 (E_RNA)
where:
Base-Base interactions energy: -306.840
where: short stacking energy: -148.440
Base-Backbone interact. energy: -0.080
local terms energy: -170.195307
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -403.336033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.336033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.336033 (E_RNA)
where:
Base-Base interactions energy: -244.722
where: short stacking energy: -125.591
Base-Backbone interact. energy: -0.203
local terms energy: -158.411111
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -39.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -408.908655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.908655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.908655 (E_RNA)
where:
Base-Base interactions energy: -259.693
where: short stacking energy: -119.260
Base-Backbone interact. energy: -0.320
local terms energy: -148.895502
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -34.444
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -34.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -342.318785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.318785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.318785 (E_RNA)
where:
Base-Base interactions energy: -206.182
where: short stacking energy: -98.695
Base-Backbone interact. energy: -0.224
local terms energy: -135.912572
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -34.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -307.029464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.029464 (E_RNA)
where:
Base-Base interactions energy: -176.736
where: short stacking energy: -94.009
Base-Backbone interact. energy: 0.107
local terms energy: -130.400088
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -34.564
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -247.075377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.075377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.075377 (E_RNA)
where:
Base-Base interactions energy: -130.006
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.557
local terms energy: -116.512274
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -160.546100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.546100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.546100 (E_RNA)
where:
Base-Base interactions energy: -54.255
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.591
local terms energy: -105.700180
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -592.683144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.683144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.683144 (E_RNA)
where:
Base-Base interactions energy: -402.580
where: short stacking energy: -189.769
Base-Backbone interact. energy: -0.349
local terms energy: -189.754304
where:
bonds (distance) C4'-P energy: -30.207
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -56.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -546.294196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.294196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.294196 (E_RNA)
where:
Base-Base interactions energy: -362.739
where: short stacking energy: -163.115
Base-Backbone interact. energy: 0.745
local terms energy: -184.299425
where:
bonds (distance) C4'-P energy: -40.731
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -491.108228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.108228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.108228 (E_RNA)
where:
Base-Base interactions energy: -321.150
where: short stacking energy: -153.656
Base-Backbone interact. energy: -0.701
local terms energy: -169.257431
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -46.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -465.892735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.892735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.892735 (E_RNA)
where:
Base-Base interactions energy: -283.568
where: short stacking energy: -149.621
Base-Backbone interact. energy: -0.062
local terms energy: -182.262674
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -386.020562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.020562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.020562 (E_RNA)
where:
Base-Base interactions energy: -235.057
where: short stacking energy: -121.254
Base-Backbone interact. energy: -1.316
local terms energy: -149.647910
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -373.783896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.783896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.783896 (E_RNA)
where:
Base-Base interactions energy: -231.403
where: short stacking energy: -114.937
Base-Backbone interact. energy: 0.293
local terms energy: -142.673972
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -320.614723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.614723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.614723 (E_RNA)
where:
Base-Base interactions energy: -199.923
where: short stacking energy: -106.302
Base-Backbone interact. energy: 0.081
local terms energy: -120.772545
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -326.313923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.313923 (E_RNA)
where:
Base-Base interactions energy: -170.988
where: short stacking energy: -92.508
Base-Backbone interact. energy: 1.093
local terms energy: -156.418669
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -188.466199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.466199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.466199 (E_RNA)
where:
Base-Base interactions energy: -67.205
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.954
local terms energy: -120.307184
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: 5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -228.192072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.192072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.192072 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -65.634
Base-Backbone interact. energy: 0.731
local terms energy: -101.777695
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -589.947327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.947327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.947327 (E_RNA)
where:
Base-Base interactions energy: -396.118
where: short stacking energy: -185.467
Base-Backbone interact. energy: -0.139
local terms energy: -193.689577
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -39.992
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -60.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -559.011310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.011310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.011310 (E_RNA)
where:
Base-Base interactions energy: -369.779
where: short stacking energy: -171.898
Base-Backbone interact. energy: -1.145
local terms energy: -188.087410
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -52.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -502.809535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.809535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.809535 (E_RNA)
where:
Base-Base interactions energy: -332.196
where: short stacking energy: -149.023
Base-Backbone interact. energy: -0.426
local terms energy: -170.187651
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -36.346
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -446.565035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.565035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.565035 (E_RNA)
where:
Base-Base interactions energy: -266.105
where: short stacking energy: -144.235
Base-Backbone interact. energy: -0.445
local terms energy: -180.014427
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -41.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -377.294050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.294050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.294050 (E_RNA)
where:
Base-Base interactions energy: -234.276
where: short stacking energy: -112.371
Base-Backbone interact. energy: 0.758
local terms energy: -143.776580
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -399.524263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.524263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.524263 (E_RNA)
where:
Base-Base interactions energy: -233.022
where: short stacking energy: -122.370
Base-Backbone interact. energy: 0.765
local terms energy: -167.266424
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -44.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -329.937135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.937135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.937135 (E_RNA)
where:
Base-Base interactions energy: -202.479
where: short stacking energy: -102.997
Base-Backbone interact. energy: 0.228
local terms energy: -127.686130
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -336.804037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.804037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.804037 (E_RNA)
where:
Base-Base interactions energy: -204.273
where: short stacking energy: -93.207
Base-Backbone interact. energy: -0.345
local terms energy: -132.186678
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -172.889945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.889945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.889945 (E_RNA)
where:
Base-Base interactions energy: -74.222
where: short stacking energy: -51.423
Base-Backbone interact. energy: 3.523
local terms energy: -102.190753
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -34.198
flat angles C4'-P-C4' energy: -27.774
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: 2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -248.779754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.779754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.779754 (E_RNA)
where:
Base-Base interactions energy: -155.059
where: short stacking energy: -72.450
Base-Backbone interact. energy: -1.037
local terms energy: -92.683917
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -586.885180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.885180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.885180 (E_RNA)
where:
Base-Base interactions energy: -391.238
where: short stacking energy: -191.097
Base-Backbone interact. energy: -0.293
local terms energy: -195.353779
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -34.911
flat angles C4'-P-C4' energy: -40.636
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -58.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -552.944027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.944027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.944027 (E_RNA)
where:
Base-Base interactions energy: -359.678
where: short stacking energy: -167.431
Base-Backbone interact. energy: -1.015
local terms energy: -192.250513
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -41.960
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -47.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -485.496993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.496993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.496993 (E_RNA)
where:
Base-Base interactions energy: -299.096
where: short stacking energy: -139.599
Base-Backbone interact. energy: -0.641
local terms energy: -185.760591
where:
bonds (distance) C4'-P energy: -37.750
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -48.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -450.879935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.879935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.879935 (E_RNA)
where:
Base-Base interactions energy: -284.347
where: short stacking energy: -153.593
Base-Backbone interact. energy: -0.455
local terms energy: -166.078026
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -423.029894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.029894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.029894 (E_RNA)
where:
Base-Base interactions energy: -269.911
where: short stacking energy: -135.706
Base-Backbone interact. energy: -0.716
local terms energy: -152.403044
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -38.537
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -389.140238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.140238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.140238 (E_RNA)
where:
Base-Base interactions energy: -247.461
where: short stacking energy: -112.257
Base-Backbone interact. energy: 1.521
local terms energy: -143.199962
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -28.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -355.689472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.689472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.689472 (E_RNA)
where:
Base-Base interactions energy: -212.411
where: short stacking energy: -106.485
Base-Backbone interact. energy: 0.099
local terms energy: -143.376652
where:
bonds (distance) C4'-P energy: -31.235
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -364.087622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.087622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.087622 (E_RNA)
where:
Base-Base interactions energy: -245.206
where: short stacking energy: -111.486
Base-Backbone interact. energy: -0.659
local terms energy: -118.222699
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -249.950431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.950431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.950431 (E_RNA)
where:
Base-Base interactions energy: -125.177
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.497
local terms energy: -124.276226
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -156.618947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.618947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.618947 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -39.300
Base-Backbone interact. energy: -0.976
local terms energy: -109.884426
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -575.217240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.217240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.217240 (E_RNA)
where:
Base-Base interactions energy: -377.910
where: short stacking energy: -189.415
Base-Backbone interact. energy: -0.594
local terms energy: -196.713864
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -60.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -553.491357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.491357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.491357 (E_RNA)
where:
Base-Base interactions energy: -362.127
where: short stacking energy: -173.230
Base-Backbone interact. energy: -0.305
local terms energy: -191.059390
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -483.742584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.742584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.742584 (E_RNA)
where:
Base-Base interactions energy: -313.576
where: short stacking energy: -152.877
Base-Backbone interact. energy: -0.271
local terms energy: -169.894917
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -50.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -460.060909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.060909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.060909 (E_RNA)
where:
Base-Base interactions energy: -287.781
where: short stacking energy: -149.031
Base-Backbone interact. energy: -0.215
local terms energy: -172.064488
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -38.500
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -404.576776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.576776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.576776 (E_RNA)
where:
Base-Base interactions energy: -251.282
where: short stacking energy: -137.424
Base-Backbone interact. energy: -1.689
local terms energy: -151.606369
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -31.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -394.475732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.475732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.475732 (E_RNA)
where:
Base-Base interactions energy: -239.809
where: short stacking energy: -97.372
Base-Backbone interact. energy: -0.574
local terms energy: -154.092991
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -29.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -352.696540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.696540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.696540 (E_RNA)
where:
Base-Base interactions energy: -211.059
where: short stacking energy: -114.845
Base-Backbone interact. energy: -0.250
local terms energy: -141.387271
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -25.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -339.157009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.157009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.157009 (E_RNA)
where:
Base-Base interactions energy: -200.986
where: short stacking energy: -100.822
Base-Backbone interact. energy: -0.832
local terms energy: -137.338633
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -261.912312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.912312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.912312 (E_RNA)
where:
Base-Base interactions energy: -141.623
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.425
local terms energy: -119.864760
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -174.049868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.049868 (E_RNA)
where:
Base-Base interactions energy: -82.741
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.083
local terms energy: -91.226548
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -578.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.707006 (E_RNA)
where:
Base-Base interactions energy: -390.374
where: short stacking energy: -186.724
Base-Backbone interact. energy: -0.627
local terms energy: -187.706133
where:
bonds (distance) C4'-P energy: -32.161
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -58.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -536.802113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.802113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.802113 (E_RNA)
where:
Base-Base interactions energy: -355.204
where: short stacking energy: -163.031
Base-Backbone interact. energy: -0.291
local terms energy: -181.306507
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -39.465
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -48.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -508.767083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.767083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.767083 (E_RNA)
where:
Base-Base interactions energy: -328.466
where: short stacking energy: -163.315
Base-Backbone interact. energy: -0.800
local terms energy: -179.501230
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -53.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -438.186031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.186031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.186031 (E_RNA)
where:
Base-Base interactions energy: -284.829
where: short stacking energy: -151.226
Base-Backbone interact. energy: 1.369
local terms energy: -154.725697
where:
bonds (distance) C4'-P energy: -32.941
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -38.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -425.124878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.124878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.124878 (E_RNA)
where:
Base-Base interactions energy: -266.550
where: short stacking energy: -129.983
Base-Backbone interact. energy: -0.487
local terms energy: -158.087243
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -35.109
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -44.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -407.187637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.187637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.187637 (E_RNA)
where:
Base-Base interactions energy: -255.155
where: short stacking energy: -101.838
Base-Backbone interact. energy: -0.206
local terms energy: -151.826553
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -37.569
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -32.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -341.449495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.449495 (E_RNA)
where:
Base-Base interactions energy: -210.011
where: short stacking energy: -102.352
Base-Backbone interact. energy: -0.718
local terms energy: -130.719860
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -333.633969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.633969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.633969 (E_RNA)
where:
Base-Base interactions energy: -209.653
where: short stacking energy: -104.966
Base-Backbone interact. energy: -0.850
local terms energy: -123.130478
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -257.461543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.461543 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -76.698
Base-Backbone interact. energy: 0.666
local terms energy: -118.170982
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -149.744059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.744059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.744059 (E_RNA)
where:
Base-Base interactions energy: -47.656
where: short stacking energy: -46.307
Base-Backbone interact. energy: -0.390
local terms energy: -101.697791
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -587.351184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.351184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.351184 (E_RNA)
where:
Base-Base interactions energy: -395.609
where: short stacking energy: -201.213
Base-Backbone interact. energy: 0.318
local terms energy: -192.059423
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -40.631
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -62.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -534.295334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.295334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.295334 (E_RNA)
where:
Base-Base interactions energy: -358.132
where: short stacking energy: -164.284
Base-Backbone interact. energy: -0.062
local terms energy: -176.101399
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -51.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -478.365432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.365432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.365432 (E_RNA)
where:
Base-Base interactions energy: -318.871
where: short stacking energy: -157.662
Base-Backbone interact. energy: -0.030
local terms energy: -159.464416
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -424.299111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.299111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.299111 (E_RNA)
where:
Base-Base interactions energy: -273.176
where: short stacking energy: -131.143
Base-Backbone interact. energy: 0.183
local terms energy: -151.306208
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -421.708424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.708424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.708424 (E_RNA)
where:
Base-Base interactions energy: -278.634
where: short stacking energy: -133.968
Base-Backbone interact. energy: 1.233
local terms energy: -144.307805
where:
bonds (distance) C4'-P energy: -29.177
bonds (distance) P-C4' energy: -28.919
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -396.612525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.612525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.612525 (E_RNA)
where:
Base-Base interactions energy: -235.576
where: short stacking energy: -101.690
Base-Backbone interact. energy: -1.598
local terms energy: -159.438226
where:
bonds (distance) C4'-P energy: -38.450
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -29.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -344.256024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.256024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.256024 (E_RNA)
where:
Base-Base interactions energy: -212.841
where: short stacking energy: -95.536
Base-Backbone interact. energy: -0.330
local terms energy: -131.085307
where:
bonds (distance) C4'-P energy: -31.577
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -351.454018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.454018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.454018 (E_RNA)
where:
Base-Base interactions energy: -210.721
where: short stacking energy: -109.391
Base-Backbone interact. energy: 1.087
local terms energy: -141.819487
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -255.572706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.572706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.572706 (E_RNA)
where:
Base-Base interactions energy: -144.582
where: short stacking energy: -72.927
Base-Backbone interact. energy: 3.607
local terms energy: -114.598547
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -156.541889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.541889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.541889 (E_RNA)
where:
Base-Base interactions energy: -52.905
where: short stacking energy: -40.026
Base-Backbone interact. energy: -2.249
local terms energy: -101.387484
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -582.759918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.759918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.759918 (E_RNA)
where:
Base-Base interactions energy: -389.258
where: short stacking energy: -188.580
Base-Backbone interact. energy: -0.048
local terms energy: -193.454321
where:
bonds (distance) C4'-P energy: -36.918
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -37.877
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -57.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -534.939521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.939521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.939521 (E_RNA)
where:
Base-Base interactions energy: -350.832
where: short stacking energy: -163.740
Base-Backbone interact. energy: -0.766
local terms energy: -183.341619
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -43.192
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -510.080537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.080537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.080537 (E_RNA)
where:
Base-Base interactions energy: -335.280
where: short stacking energy: -164.815
Base-Backbone interact. energy: 0.190
local terms energy: -174.990342
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -49.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -437.032378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.032378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.032378 (E_RNA)
where:
Base-Base interactions energy: -276.339
where: short stacking energy: -138.398
Base-Backbone interact. energy: -1.050
local terms energy: -159.643422
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -430.036539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.036539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.036539 (E_RNA)
where:
Base-Base interactions energy: -268.415
where: short stacking energy: -131.786
Base-Backbone interact. energy: 0.910
local terms energy: -162.531749
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -27.362
tors. eta vs tors. theta energy: -40.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -388.035578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.035578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.035578 (E_RNA)
where:
Base-Base interactions energy: -250.037
where: short stacking energy: -115.381
Base-Backbone interact. energy: -0.618
local terms energy: -137.380455
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -345.405450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.405450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.405450 (E_RNA)
where:
Base-Base interactions energy: -205.737
where: short stacking energy: -89.390
Base-Backbone interact. energy: -0.571
local terms energy: -139.097357
where:
bonds (distance) C4'-P energy: -37.059
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -297.406218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.406218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.406218 (E_RNA)
where:
Base-Base interactions energy: -165.278
where: short stacking energy: -88.669
Base-Backbone interact. energy: -1.349
local terms energy: -130.779417
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -236.659828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.659828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.659828 (E_RNA)
where:
Base-Base interactions energy: -121.111
where: short stacking energy: -59.869
Base-Backbone interact. energy: -0.179
local terms energy: -115.370220
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -165.625085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.625085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.625085 (E_RNA)
where:
Base-Base interactions energy: -55.049
where: short stacking energy: -52.693
Base-Backbone interact. energy: 1.308
local terms energy: -111.884599
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -574.817943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.817943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.817943 (E_RNA)
where:
Base-Base interactions energy: -372.591
where: short stacking energy: -189.528
Base-Backbone interact. energy: -0.348
local terms energy: -201.878090
where:
bonds (distance) C4'-P energy: -38.255
bonds (distance) P-C4' energy: -36.189
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -31.199
tors. eta vs tors. theta energy: -58.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -536.366070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.366070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.366070 (E_RNA)
where:
Base-Base interactions energy: -357.547
where: short stacking energy: -169.414
Base-Backbone interact. energy: -0.230
local terms energy: -178.589866
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -50.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -504.914958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.914958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.914958 (E_RNA)
where:
Base-Base interactions energy: -327.724
where: short stacking energy: -162.340
Base-Backbone interact. energy: -0.130
local terms energy: -177.060843
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -41.476
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -429.773115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.773115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.773115 (E_RNA)
where:
Base-Base interactions energy: -271.292
where: short stacking energy: -127.246
Base-Backbone interact. energy: -1.118
local terms energy: -157.362955
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -38.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -417.248291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.248291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.248291 (E_RNA)
where:
Base-Base interactions energy: -263.238
where: short stacking energy: -124.840
Base-Backbone interact. energy: -1.434
local terms energy: -152.576363
where:
bonds (distance) C4'-P energy: -34.219
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -37.202
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -29.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -380.510892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.510892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.510892 (E_RNA)
where:
Base-Base interactions energy: -249.758
where: short stacking energy: -107.569
Base-Backbone interact. energy: -0.245
local terms energy: -130.507785
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -342.060511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.060511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.060511 (E_RNA)
where:
Base-Base interactions energy: -202.442
where: short stacking energy: -99.106
Base-Backbone interact. energy: -0.083
local terms energy: -139.534936
where:
bonds (distance) C4'-P energy: -27.428
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -255.688435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.688435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.688435 (E_RNA)
where:
Base-Base interactions energy: -140.953
where: short stacking energy: -67.273
Base-Backbone interact. energy: 0.160
local terms energy: -114.895354
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -292.866672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.866672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.866672 (E_RNA)
where:
Base-Base interactions energy: -164.427
where: short stacking energy: -78.056
Base-Backbone interact. energy: -0.436
local terms energy: -128.003201
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -164.533175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.533175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.533175 (E_RNA)
where:
Base-Base interactions energy: -57.775
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.483
local terms energy: -106.274856
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -29.094
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -574.378364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.378364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.378364 (E_RNA)
where:
Base-Base interactions energy: -387.462
where: short stacking energy: -187.973
Base-Backbone interact. energy: -0.012
local terms energy: -186.904638
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -58.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -529.695560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.695560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.695560 (E_RNA)
where:
Base-Base interactions energy: -366.751
where: short stacking energy: -172.385
Base-Backbone interact. energy: 0.040
local terms energy: -162.984299
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -48.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -495.457433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.457433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.457433 (E_RNA)
where:
Base-Base interactions energy: -316.877
where: short stacking energy: -162.457
Base-Backbone interact. energy: -0.267
local terms energy: -178.313183
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -52.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -432.374788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.374788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.374788 (E_RNA)
where:
Base-Base interactions energy: -270.468
where: short stacking energy: -134.994
Base-Backbone interact. energy: -0.162
local terms energy: -161.744396
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -404.364784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.364784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.364784 (E_RNA)
where:
Base-Base interactions energy: -250.049
where: short stacking energy: -127.617
Base-Backbone interact. energy: -0.131
local terms energy: -154.184521
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -352.764897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.764897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.764897 (E_RNA)
where:
Base-Base interactions energy: -212.551
where: short stacking energy: -101.893
Base-Backbone interact. energy: -0.363
local terms energy: -139.851131
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -292.507219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.507219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.507219 (E_RNA)
where:
Base-Base interactions energy: -169.053
where: short stacking energy: -81.010
Base-Backbone interact. energy: -0.506
local terms energy: -122.949140
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -391.662322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.662322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.662322 (E_RNA)
where:
Base-Base interactions energy: -248.268
where: short stacking energy: -114.353
Base-Backbone interact. energy: -0.762
local terms energy: -142.632457
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -28.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -306.946849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.946849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.946849 (E_RNA)
where:
Base-Base interactions energy: -192.397
where: short stacking energy: -101.512
Base-Backbone interact. energy: -1.025
local terms energy: -113.524943
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -167.005739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.005739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.005739 (E_RNA)
where:
Base-Base interactions energy: -56.045
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.639
local terms energy: -110.321957
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -579.237474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.237474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.237474 (E_RNA)
where:
Base-Base interactions energy: -382.708
where: short stacking energy: -190.486
Base-Backbone interact. energy: -0.009
local terms energy: -196.520544
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -526.752125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.752125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.752125 (E_RNA)
where:
Base-Base interactions energy: -354.182
where: short stacking energy: -162.572
Base-Backbone interact. energy: -1.128
local terms energy: -171.442013
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -49.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -501.275661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.275661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.275661 (E_RNA)
where:
Base-Base interactions energy: -319.874
where: short stacking energy: -156.896
Base-Backbone interact. energy: -1.379
local terms energy: -180.023401
where:
bonds (distance) C4'-P energy: -29.937
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -40.321
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -54.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -418.483702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.483702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.483702 (E_RNA)
where:
Base-Base interactions energy: -260.781
where: short stacking energy: -117.816
Base-Backbone interact. energy: -0.208
local terms energy: -157.494636
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -34.352
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -33.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -401.242042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.242042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.242042 (E_RNA)
where:
Base-Base interactions energy: -248.297
where: short stacking energy: -122.344
Base-Backbone interact. energy: 0.053
local terms energy: -152.997366
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -32.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -369.543241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.543241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.543241 (E_RNA)
where:
Base-Base interactions energy: -222.481
where: short stacking energy: -103.709
Base-Backbone interact. energy: -0.594
local terms energy: -146.468406
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -40.080
flat angles C4'-P-C4' energy: -35.629
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -316.850191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.850191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.850191 (E_RNA)
where:
Base-Base interactions energy: -194.272
where: short stacking energy: -90.386
Base-Backbone interact. energy: -0.735
local terms energy: -121.843231
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -389.992825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.992825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.992825 (E_RNA)
where:
Base-Base interactions energy: -243.647
where: short stacking energy: -102.735
Base-Backbone interact. energy: 1.343
local terms energy: -147.688878
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -297.542959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.542959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.542959 (E_RNA)
where:
Base-Base interactions energy: -185.591
where: short stacking energy: -92.499
Base-Backbone interact. energy: 3.868
local terms energy: -115.820600
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -194.674297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.674297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.674297 (E_RNA)
where:
Base-Base interactions energy: -80.330
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.437
local terms energy: -113.908028
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -570.730110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.730110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.730110 (E_RNA)
where:
Base-Base interactions energy: -372.079
where: short stacking energy: -188.921
Base-Backbone interact. energy: -0.043
local terms energy: -198.607744
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -40.705
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: -56.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -527.695885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.695885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.695885 (E_RNA)
where:
Base-Base interactions energy: -342.257
where: short stacking energy: -151.845
Base-Backbone interact. energy: -0.877
local terms energy: -184.561805
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -492.742287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.742287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.742287 (E_RNA)
where:
Base-Base interactions energy: -319.756
where: short stacking energy: -161.591
Base-Backbone interact. energy: -0.238
local terms energy: -172.747717
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -33.576
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -451.850403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.850403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.850403 (E_RNA)
where:
Base-Base interactions energy: -286.388
where: short stacking energy: -157.274
Base-Backbone interact. energy: -0.095
local terms energy: -165.367242
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -28.211
tors. eta vs tors. theta energy: -48.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -416.862469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.862469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.862469 (E_RNA)
where:
Base-Base interactions energy: -248.287
where: short stacking energy: -134.253
Base-Backbone interact. energy: -0.149
local terms energy: -168.426459
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -345.193602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.193602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.193602 (E_RNA)
where:
Base-Base interactions energy: -207.530
where: short stacking energy: -94.102
Base-Backbone interact. energy: -0.445
local terms energy: -137.218791
where:
bonds (distance) C4'-P energy: -35.094
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -383.164549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.164549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.164549 (E_RNA)
where:
Base-Base interactions energy: -232.317
where: short stacking energy: -111.131
Base-Backbone interact. energy: -0.678
local terms energy: -150.169660
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -332.481284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.481284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.481284 (E_RNA)
where:
Base-Base interactions energy: -192.845
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.348
local terms energy: -139.287952
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -32.082
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -324.424726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.424726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.424726 (E_RNA)
where:
Base-Base interactions energy: -203.260
where: short stacking energy: -85.260
Base-Backbone interact. energy: -0.349
local terms energy: -120.815257
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -185.580530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.580530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.580530 (E_RNA)
where:
Base-Base interactions energy: -69.441
where: short stacking energy: -44.212
Base-Backbone interact. energy: 2.189
local terms energy: -118.328255
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: 6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -567.919969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.919969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.919969 (E_RNA)
where:
Base-Base interactions energy: -377.758
where: short stacking energy: -186.320
Base-Backbone interact. energy: -0.008
local terms energy: -190.153486
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: -54.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -550.464037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.464037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.464037 (E_RNA)
where:
Base-Base interactions energy: -357.928
where: short stacking energy: -162.785
Base-Backbone interact. energy: -0.875
local terms energy: -191.661307
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -54.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -488.713355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.713355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.713355 (E_RNA)
where:
Base-Base interactions energy: -312.531
where: short stacking energy: -144.257
Base-Backbone interact. energy: -0.003
local terms energy: -176.180039
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -47.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -438.452279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.452279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.452279 (E_RNA)
where:
Base-Base interactions energy: -269.599
where: short stacking energy: -136.542
Base-Backbone interact. energy: -0.300
local terms energy: -168.553318
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -45.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -387.038840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.038840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.038840 (E_RNA)
where:
Base-Base interactions energy: -240.673
where: short stacking energy: -119.187
Base-Backbone interact. energy: -0.148
local terms energy: -146.218151
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -36.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -404.876250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.876250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.876250 (E_RNA)
where:
Base-Base interactions energy: -257.043
where: short stacking energy: -134.352
Base-Backbone interact. energy: -0.119
local terms energy: -147.715103
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -36.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -344.620534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.620534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.620534 (E_RNA)
where:
Base-Base interactions energy: -200.937
where: short stacking energy: -101.698
Base-Backbone interact. energy: -1.900
local terms energy: -141.783773
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -321.143203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.143203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.143203 (E_RNA)
where:
Base-Base interactions energy: -193.160
where: short stacking energy: -96.244
Base-Backbone interact. energy: -0.448
local terms energy: -127.534486
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -296.605745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.605745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.605745 (E_RNA)
where:
Base-Base interactions energy: -168.422
where: short stacking energy: -83.242
Base-Backbone interact. energy: -1.084
local terms energy: -127.100347
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -145.321857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.321857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.321857 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -38.071
Base-Backbone interact. energy: 0.346
local terms energy: -105.690929
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: 7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -565.426517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.426517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.426517 (E_RNA)
where:
Base-Base interactions energy: -367.760
where: short stacking energy: -182.707
Base-Backbone interact. energy: -0.001
local terms energy: -197.665327
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -38.801
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -57.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -534.229764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.229764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.229764 (E_RNA)
where:
Base-Base interactions energy: -347.914
where: short stacking energy: -165.541
Base-Backbone interact. energy: -0.348
local terms energy: -185.967907
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -40.623
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -51.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -477.892817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.892817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.892817 (E_RNA)
where:
Base-Base interactions energy: -309.466
where: short stacking energy: -146.481
Base-Backbone interact. energy: -0.829
local terms energy: -167.597799
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -42.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -433.413984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.413984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.413984 (E_RNA)
where:
Base-Base interactions energy: -268.231
where: short stacking energy: -137.074
Base-Backbone interact. energy: -0.147
local terms energy: -165.035883
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -35.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -399.055962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.055962 (E_RNA)
where:
Base-Base interactions energy: -246.306
where: short stacking energy: -111.991
Base-Backbone interact. energy: 0.588
local terms energy: -153.337985
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -416.020661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.020661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.020661 (E_RNA)
where:
Base-Base interactions energy: -270.120
where: short stacking energy: -126.402
Base-Backbone interact. energy: -0.631
local terms energy: -145.269759
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -28.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -319.760614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.760614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.760614 (E_RNA)
where:
Base-Base interactions energy: -194.319
where: short stacking energy: -96.027
Base-Backbone interact. energy: -0.865
local terms energy: -124.576520
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -36.112
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -313.628823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.628823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.628823 (E_RNA)
where:
Base-Base interactions energy: -197.289
where: short stacking energy: -97.203
Base-Backbone interact. energy: 0.177
local terms energy: -116.516050
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -278.812885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.812885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.812885 (E_RNA)
where:
Base-Base interactions energy: -165.116
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.286
local terms energy: -113.411027
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -162.355968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.355968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.355968 (E_RNA)
where:
Base-Base interactions energy: -54.317
where: short stacking energy: -40.346
Base-Backbone interact. energy: 0.527
local terms energy: -108.565351
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -34.440
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -572.022321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.022321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.022321 (E_RNA)
where:
Base-Base interactions energy: -391.775
where: short stacking energy: -184.055
Base-Backbone interact. energy: -0.184
local terms energy: -180.062343
where:
bonds (distance) C4'-P energy: -36.417
bonds (distance) P-C4' energy: -33.075
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -53.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -486.444646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.444646 (E_RNA)
where:
Base-Base interactions energy: -323.792
where: short stacking energy: -148.361
Base-Backbone interact. energy: -0.525
local terms energy: -162.127342
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -42.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -513.925052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.925052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.925052 (E_RNA)
where:
Base-Base interactions energy: -342.072
where: short stacking energy: -157.734
Base-Backbone interact. energy: -0.110
local terms energy: -171.743110
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -32.665
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -45.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -411.949356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.949356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.949356 (E_RNA)
where:
Base-Base interactions energy: -248.893
where: short stacking energy: -117.503
Base-Backbone interact. energy: -0.178
local terms energy: -162.878519
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -36.292
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -29.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -406.196306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.196306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.196306 (E_RNA)
where:
Base-Base interactions energy: -251.630
where: short stacking energy: -124.167
Base-Backbone interact. energy: 0.063
local terms energy: -154.629591
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -36.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -387.581523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.581523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.581523 (E_RNA)
where:
Base-Base interactions energy: -242.980
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.373
local terms energy: -144.228463
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -31.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -317.885149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.885149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.885149 (E_RNA)
where:
Base-Base interactions energy: -184.974
where: short stacking energy: -91.552
Base-Backbone interact. energy: -1.024
local terms energy: -131.886873
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -302.857237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.857237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.857237 (E_RNA)
where:
Base-Base interactions energy: -173.931
where: short stacking energy: -94.216
Base-Backbone interact. energy: -0.464
local terms energy: -128.462760
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -257.551703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.551703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.551703 (E_RNA)
where:
Base-Base interactions energy: -151.224
where: short stacking energy: -65.787
Base-Backbone interact. energy: 2.305
local terms energy: -108.632427
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -147.429733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.429733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.429733 (E_RNA)
where:
Base-Base interactions energy: -44.838
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.514
local terms energy: -102.077418
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -35.559
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -574.192203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.192203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.192203 (E_RNA)
where:
Base-Base interactions energy: -382.963
where: short stacking energy: -188.093
Base-Backbone interact. energy: -0.106
local terms energy: -191.122639
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -55.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -509.918285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.918285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.918285 (E_RNA)
where:
Base-Base interactions energy: -341.397
where: short stacking energy: -167.142
Base-Backbone interact. energy: 1.288
local terms energy: -169.810074
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -39.082
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -46.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -528.886253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.886253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.886253 (E_RNA)
where:
Base-Base interactions energy: -362.795
where: short stacking energy: -163.735
Base-Backbone interact. energy: -1.109
local terms energy: -164.981566
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -49.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -418.636914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.636914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.636914 (E_RNA)
where:
Base-Base interactions energy: -266.591
where: short stacking energy: -124.746
Base-Backbone interact. energy: -1.123
local terms energy: -150.923621
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -32.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -410.073782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.073782 (E_RNA)
where:
Base-Base interactions energy: -267.398
where: short stacking energy: -137.903
Base-Backbone interact. energy: -0.758
local terms energy: -141.918057
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -403.842674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.842674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.842674 (E_RNA)
where:
Base-Base interactions energy: -255.754
where: short stacking energy: -120.328
Base-Backbone interact. energy: 1.611
local terms energy: -149.699182
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -318.579594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.579594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.579594 (E_RNA)
where:
Base-Base interactions energy: -193.395
where: short stacking energy: -93.838
Base-Backbone interact. energy: 0.158
local terms energy: -125.342462
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -303.442859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.442859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.442859 (E_RNA)
where:
Base-Base interactions energy: -178.650
where: short stacking energy: -86.405
Base-Backbone interact. energy: -0.673
local terms energy: -124.119958
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -250.975033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.975033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.975033 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.514
local terms energy: -108.762791
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -156.215675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.215675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.215675 (E_RNA)
where:
Base-Base interactions energy: -58.044
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.311
local terms energy: -97.860987
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -573.428567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.428567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.428567 (E_RNA)
where:
Base-Base interactions energy: -374.230
where: short stacking energy: -180.097
Base-Backbone interact. energy: -0.065
local terms energy: -199.133994
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -59.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -541.388155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.388155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.388155 (E_RNA)
where:
Base-Base interactions energy: -357.164
where: short stacking energy: -171.732
Base-Backbone interact. energy: -0.440
local terms energy: -183.784038
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -56.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -492.720461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.720461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.720461 (E_RNA)
where:
Base-Base interactions energy: -312.896
where: short stacking energy: -144.818
Base-Backbone interact. energy: -0.871
local terms energy: -178.954092
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -39.647
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -40.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -422.378667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.378667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.378667 (E_RNA)
where:
Base-Base interactions energy: -270.503
where: short stacking energy: -134.711
Base-Backbone interact. energy: 1.926
local terms energy: -153.801708
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -36.194
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -39.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -414.503782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.503782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.503782 (E_RNA)
where:
Base-Base interactions energy: -259.878
where: short stacking energy: -124.532
Base-Backbone interact. energy: -1.277
local terms energy: -153.348315
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -23.868
tors. eta vs tors. theta energy: -39.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -401.170712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.170712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.170712 (E_RNA)
where:
Base-Base interactions energy: -249.096
where: short stacking energy: -116.004
Base-Backbone interact. energy: -0.285
local terms energy: -151.789766
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -31.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -278.538240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.538240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.538240 (E_RNA)
where:
Base-Base interactions energy: -158.750
where: short stacking energy: -82.984
Base-Backbone interact. energy: 1.392
local terms energy: -121.179311
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -286.433088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.433088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.433088 (E_RNA)
where:
Base-Base interactions energy: -166.427
where: short stacking energy: -84.995
Base-Backbone interact. energy: -0.834
local terms energy: -119.172058
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -155.966474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.966474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.966474 (E_RNA)
where:
Base-Base interactions energy: -55.880
where: short stacking energy: -51.701
Base-Backbone interact. energy: 2.993
local terms energy: -103.079621
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: 4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -169.557804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.557804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.557804 (E_RNA)
where:
Base-Base interactions energy: -73.846
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.606
local terms energy: -95.106286
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -567.117311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.117311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.117311 (E_RNA)
where:
Base-Base interactions energy: -368.186
where: short stacking energy: -170.669
Base-Backbone interact. energy: -0.133
local terms energy: -198.798471
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -38.058
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -54.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -555.748555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.748555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.748555 (E_RNA)
where:
Base-Base interactions energy: -366.639
where: short stacking energy: -174.370
Base-Backbone interact. energy: -0.132
local terms energy: -188.977876
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -55.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -485.293499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.293499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.293499 (E_RNA)
where:
Base-Base interactions energy: -305.893
where: short stacking energy: -139.055
Base-Backbone interact. energy: -0.386
local terms energy: -179.014005
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -51.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -453.936275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.936275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.936275 (E_RNA)
where:
Base-Base interactions energy: -288.331
where: short stacking energy: -139.964
Base-Backbone interact. energy: -0.701
local terms energy: -164.903659
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -415.970940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.970940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.970940 (E_RNA)
where:
Base-Base interactions energy: -270.717
where: short stacking energy: -116.747
Base-Backbone interact. energy: -0.247
local terms energy: -145.006463
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -32.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -413.544508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.544508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.544508 (E_RNA)
where:
Base-Base interactions energy: -264.941
where: short stacking energy: -115.388
Base-Backbone interact. energy: -0.495
local terms energy: -148.108406
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -36.115
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -30.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -330.209338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.209338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.209338 (E_RNA)
where:
Base-Base interactions energy: -201.651
where: short stacking energy: -94.462
Base-Backbone interact. energy: -0.572
local terms energy: -127.987253
where:
bonds (distance) C4'-P energy: -39.045
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -282.267085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.267085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.267085 (E_RNA)
where:
Base-Base interactions energy: -170.169
where: short stacking energy: -86.408
Base-Backbone interact. energy: 1.306
local terms energy: -113.404012
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -197.184961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.184961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.184961 (E_RNA)
where:
Base-Base interactions energy: -88.112
where: short stacking energy: -55.872
Base-Backbone interact. energy: -1.253
local terms energy: -107.820194
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -144.648699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.648699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.648699 (E_RNA)
where:
Base-Base interactions energy: -62.574
where: short stacking energy: -47.520
Base-Backbone interact. energy: 0.609
local terms energy: -82.683588
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: 6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -573.640701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.640701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.640701 (E_RNA)
where:
Base-Base interactions energy: -378.789
where: short stacking energy: -177.963
Base-Backbone interact. energy: -0.015
local terms energy: -194.836991
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -53.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -532.842196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.842196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.842196 (E_RNA)
where:
Base-Base interactions energy: -345.739
where: short stacking energy: -161.334
Base-Backbone interact. energy: -1.555
local terms energy: -185.548388
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -46.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -487.636745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.636745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.636745 (E_RNA)
where:
Base-Base interactions energy: -311.694
where: short stacking energy: -148.384
Base-Backbone interact. energy: -0.229
local terms energy: -175.713295
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -48.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -464.757511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.757511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.757511 (E_RNA)
where:
Base-Base interactions energy: -288.352
where: short stacking energy: -134.359
Base-Backbone interact. energy: -0.327
local terms energy: -176.077780
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -41.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -438.968723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.968723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.968723 (E_RNA)
where:
Base-Base interactions energy: -273.169
where: short stacking energy: -142.055
Base-Backbone interact. energy: -0.628
local terms energy: -165.171713
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -41.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -404.684009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.684009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.684009 (E_RNA)
where:
Base-Base interactions energy: -240.403
where: short stacking energy: -122.475
Base-Backbone interact. energy: -0.068
local terms energy: -164.213251
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -38.160
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -341.793626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.793626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.793626 (E_RNA)
where:
Base-Base interactions energy: -216.020
where: short stacking energy: -103.843
Base-Backbone interact. energy: -0.794
local terms energy: -124.978987
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -269.570871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.570871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.570871 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -75.453
Base-Backbone interact. energy: -0.755
local terms energy: -125.014495
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -32.424
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -162.332276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.332276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.332276 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -48.642
Base-Backbone interact. energy: 2.287
local terms energy: -112.489984
where:
bonds (distance) C4'-P energy: -34.154
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -160.680122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.680122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.680122 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.247
local terms energy: -110.104061
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: 5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -580.482129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.482129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.482129 (E_RNA)
where:
Base-Base interactions energy: -380.864
where: short stacking energy: -187.377
Base-Backbone interact. energy: -0.322
local terms energy: -199.295445
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -60.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -515.862480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.862480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.862480 (E_RNA)
where:
Base-Base interactions energy: -340.636
where: short stacking energy: -174.389
Base-Backbone interact. energy: -1.108
local terms energy: -174.118899
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -48.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -489.110193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.110193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.110193 (E_RNA)
where:
Base-Base interactions energy: -315.020
where: short stacking energy: -151.835
Base-Backbone interact. energy: -0.162
local terms energy: -173.927974
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -52.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -458.821418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.821418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.821418 (E_RNA)
where:
Base-Base interactions energy: -302.970
where: short stacking energy: -136.134
Base-Backbone interact. energy: 1.701
local terms energy: -157.552312
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -36.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -410.634151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.634151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.634151 (E_RNA)
where:
Base-Base interactions energy: -262.855
where: short stacking energy: -135.715
Base-Backbone interact. energy: -0.742
local terms energy: -147.036481
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -33.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -431.392598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.392598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.392598 (E_RNA)
where:
Base-Base interactions energy: -271.614
where: short stacking energy: -127.781
Base-Backbone interact. energy: -0.419
local terms energy: -159.359122
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -38.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -312.157305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.157305 (E_RNA)
where:
Base-Base interactions energy: -196.049
where: short stacking energy: -79.615
Base-Backbone interact. energy: -0.616
local terms energy: -115.492966
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -246.827660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.827660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.827660 (E_RNA)
where:
Base-Base interactions energy: -120.141
where: short stacking energy: -74.972
Base-Backbone interact. energy: 0.475
local terms energy: -127.162072
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -162.343089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343089 (E_RNA)
where:
Base-Base interactions energy: -50.741
where: short stacking energy: -46.671
Base-Backbone interact. energy: 0.055
local terms energy: -111.658046
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -158.869683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.869683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.869683 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -44.788
Base-Backbone interact. energy: 1.493
local terms energy: -102.723376
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -579.204468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.204468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.204468 (E_RNA)
where:
Base-Base interactions energy: -382.946
where: short stacking energy: -192.429
Base-Backbone interact. energy: -0.117
local terms energy: -196.141712
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -43.094
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -525.809121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.809121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.809121 (E_RNA)
where:
Base-Base interactions energy: -341.734
where: short stacking energy: -164.098
Base-Backbone interact. energy: -0.269
local terms energy: -183.805498
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -52.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -521.251681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.251681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.251681 (E_RNA)
where:
Base-Base interactions energy: -334.209
where: short stacking energy: -163.602
Base-Backbone interact. energy: -0.428
local terms energy: -186.615206
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -50.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -466.896512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.896512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.896512 (E_RNA)
where:
Base-Base interactions energy: -315.946
where: short stacking energy: -145.466
Base-Backbone interact. energy: -0.058
local terms energy: -150.892411
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -39.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -423.772805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.772805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.772805 (E_RNA)
where:
Base-Base interactions energy: -266.995
where: short stacking energy: -129.779
Base-Backbone interact. energy: -0.352
local terms energy: -156.425735
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -437.801579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.801579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.801579 (E_RNA)
where:
Base-Base interactions energy: -266.991
where: short stacking energy: -131.349
Base-Backbone interact. energy: -0.555
local terms energy: -170.255785
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -37.364
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -40.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -265.068966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.068966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.068966 (E_RNA)
where:
Base-Base interactions energy: -140.702
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.214
local terms energy: -124.152946
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -254.950874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.950874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.950874 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -82.205
Base-Backbone interact. energy: -0.548
local terms energy: -107.294583
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -166.250366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.250366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.250366 (E_RNA)
where:
Base-Base interactions energy: -64.568
where: short stacking energy: -57.865
Base-Backbone interact. energy: 1.270
local terms energy: -102.952394
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -155.997133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.997133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.997133 (E_RNA)
where:
Base-Base interactions energy: -60.193
where: short stacking energy: -42.077
Base-Backbone interact. energy: 3.596
local terms energy: -99.400126
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: 3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -576.203420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.203420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.203420 (E_RNA)
where:
Base-Base interactions energy: -381.320
where: short stacking energy: -182.790
Base-Backbone interact. energy: -0.529
local terms energy: -194.354418
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -37.150
flat angles C4'-P-C4' energy: -43.086
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -520.177305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.177305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.177305 (E_RNA)
where:
Base-Base interactions energy: -333.436
where: short stacking energy: -160.567
Base-Backbone interact. energy: -0.172
local terms energy: -186.569752
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -49.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -514.191851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.191851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.191851 (E_RNA)
where:
Base-Base interactions energy: -333.379
where: short stacking energy: -168.746
Base-Backbone interact. energy: 1.044
local terms energy: -181.856842
where:
bonds (distance) C4'-P energy: -36.084
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -47.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -476.022216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.022216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.022216 (E_RNA)
where:
Base-Base interactions energy: -312.083
where: short stacking energy: -141.175
Base-Backbone interact. energy: -0.671
local terms energy: -163.267504
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -46.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -425.586623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.586623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.586623 (E_RNA)
where:
Base-Base interactions energy: -270.482
where: short stacking energy: -112.363
Base-Backbone interact. energy: -0.357
local terms energy: -154.747937
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -438.387133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.387133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.387133 (E_RNA)
where:
Base-Base interactions energy: -272.316
where: short stacking energy: -134.184
Base-Backbone interact. energy: -0.086
local terms energy: -165.984627
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -312.989689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.989689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.989689 (E_RNA)
where:
Base-Base interactions energy: -163.295
where: short stacking energy: -88.517
Base-Backbone interact. energy: 0.054
local terms energy: -149.748557
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -269.257976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.257976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.257976 (E_RNA)
where:
Base-Base interactions energy: -144.355
where: short stacking energy: -87.988
Base-Backbone interact. energy: 1.457
local terms energy: -126.360190
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -166.598402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.598402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.598402 (E_RNA)
where:
Base-Base interactions energy: -53.418
where: short stacking energy: -48.632
Base-Backbone interact. energy: -1.122
local terms energy: -112.059007
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -166.698378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.698378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.698378 (E_RNA)
where:
Base-Base interactions energy: -64.930
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.320
local terms energy: -101.448874
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -575.271423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.271423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.271423 (E_RNA)
where:
Base-Base interactions energy: -379.510
where: short stacking energy: -193.476
Base-Backbone interact. energy: 0.373
local terms energy: -196.134142
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -57.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -514.792056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.792056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.792056 (E_RNA)
where:
Base-Base interactions energy: -332.076
where: short stacking energy: -157.189
Base-Backbone interact. energy: -0.263
local terms energy: -182.453224
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -50.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -501.471019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.471019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.471019 (E_RNA)
where:
Base-Base interactions energy: -332.810
where: short stacking energy: -146.686
Base-Backbone interact. energy: -1.721
local terms energy: -166.940063
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -44.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -461.156884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.156884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.156884 (E_RNA)
where:
Base-Base interactions energy: -292.606
where: short stacking energy: -134.252
Base-Backbone interact. energy: -0.467
local terms energy: -168.084330
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -38.528
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -41.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -404.785056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.785056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.785056 (E_RNA)
where:
Base-Base interactions energy: -252.560
where: short stacking energy: -132.436
Base-Backbone interact. energy: 3.538
local terms energy: -155.763058
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -33.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -416.763471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.763471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.763471 (E_RNA)
where:
Base-Base interactions energy: -256.866
where: short stacking energy: -138.933
Base-Backbone interact. energy: 0.974
local terms energy: -160.872135
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -300.115247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.115247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.115247 (E_RNA)
where:
Base-Base interactions energy: -175.386
where: short stacking energy: -90.652
Base-Backbone interact. energy: -1.013
local terms energy: -123.715772
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -274.195948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.195948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.195948 (E_RNA)
where:
Base-Base interactions energy: -148.563
where: short stacking energy: -89.136
Base-Backbone interact. energy: -0.435
local terms energy: -125.197786
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -188.858833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.858833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.858833 (E_RNA)
where:
Base-Base interactions energy: -92.208
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.462
local terms energy: -96.188308
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -157.361503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.361503 (E_RNA)
where:
Base-Base interactions energy: -59.285
where: short stacking energy: -54.657
Base-Backbone interact. energy: 0.286
local terms energy: -98.362537
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -583.196729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.196729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.196729 (E_RNA)
where:
Base-Base interactions energy: -384.605
where: short stacking energy: -183.427
Base-Backbone interact. energy: 0.400
local terms energy: -198.992183
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -57.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -503.685556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.685556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.685556 (E_RNA)
where:
Base-Base interactions energy: -334.205
where: short stacking energy: -166.888
Base-Backbone interact. energy: -1.586
local terms energy: -167.894243
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -52.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -499.601921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.601921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.601921 (E_RNA)
where:
Base-Base interactions energy: -319.225
where: short stacking energy: -144.413
Base-Backbone interact. energy: -0.083
local terms energy: -180.294084
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -48.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -506.328084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.328084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.328084 (E_RNA)
where:
Base-Base interactions energy: -328.052
where: short stacking energy: -142.215
Base-Backbone interact. energy: -0.115
local terms energy: -178.161536
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -39.423
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -419.101730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.101730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.101730 (E_RNA)
where:
Base-Base interactions energy: -257.396
where: short stacking energy: -117.644
Base-Backbone interact. energy: -0.839
local terms energy: -160.866947
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -38.239
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -31.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -420.848757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.848757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.848757 (E_RNA)
where:
Base-Base interactions energy: -265.936
where: short stacking energy: -132.378
Base-Backbone interact. energy: -0.212
local terms energy: -154.701058
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -39.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -291.444405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.444405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.444405 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -94.819
Base-Backbone interact. energy: -0.140
local terms energy: -125.100955
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -293.656526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656526 (E_RNA)
where:
Base-Base interactions energy: -177.865
where: short stacking energy: -88.719
Base-Backbone interact. energy: -0.481
local terms energy: -115.310523
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -157.583268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.583268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.583268 (E_RNA)
where:
Base-Base interactions energy: -65.999
where: short stacking energy: -53.257
Base-Backbone interact. energy: 4.679
local terms energy: -96.262715
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -150.663627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.663627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.663627 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.412
local terms energy: -107.659925
where:
bonds (distance) C4'-P energy: -37.550
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -581.586155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.586155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.586155 (E_RNA)
where:
Base-Base interactions energy: -375.764
where: short stacking energy: -196.953
Base-Backbone interact. energy: 0.157
local terms energy: -205.978741
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -513.789586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.789586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.789586 (E_RNA)
where:
Base-Base interactions energy: -327.030
where: short stacking energy: -155.913
Base-Backbone interact. energy: -0.126
local terms energy: -186.633280
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -36.317
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -52.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -498.054599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.054599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.054599 (E_RNA)
where:
Base-Base interactions energy: -323.527
where: short stacking energy: -156.116
Base-Backbone interact. energy: -0.121
local terms energy: -174.407261
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -37.534
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -49.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -517.809910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.809910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.809910 (E_RNA)
where:
Base-Base interactions energy: -333.216
where: short stacking energy: -159.059
Base-Backbone interact. energy: 2.328
local terms energy: -186.921950
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -51.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -427.713050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.713050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.713050 (E_RNA)
where:
Base-Base interactions energy: -276.527
where: short stacking energy: -148.222
Base-Backbone interact. energy: -0.279
local terms energy: -150.907164
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -435.061202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.061202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.061202 (E_RNA)
where:
Base-Base interactions energy: -278.308
where: short stacking energy: -130.906
Base-Backbone interact. energy: -0.309
local terms energy: -156.444711
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -37.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -282.640076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.640076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.640076 (E_RNA)
where:
Base-Base interactions energy: -158.061
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.394
local terms energy: -124.184920
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -286.054396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.054396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.054396 (E_RNA)
where:
Base-Base interactions energy: -160.761
where: short stacking energy: -89.575
Base-Backbone interact. energy: -0.530
local terms energy: -124.763918
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -170.138935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.138935 (E_RNA)
where:
Base-Base interactions energy: -57.385
where: short stacking energy: -39.511
Base-Backbone interact. energy: -1.629
local terms energy: -111.124756
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: 1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -156.475451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.475451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.475451 (E_RNA)
where:
Base-Base interactions energy: -64.385
where: short stacking energy: -40.629
Base-Backbone interact. energy: 2.419
local terms energy: -94.509739
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: 6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -582.233512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.233512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.233512 (E_RNA)
where:
Base-Base interactions energy: -382.434
where: short stacking energy: -190.035
Base-Backbone interact. energy: -0.025
local terms energy: -199.774338
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -37.195
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -58.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -513.923922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.923922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.923922 (E_RNA)
where:
Base-Base interactions energy: -343.180
where: short stacking energy: -149.198
Base-Backbone interact. energy: -0.137
local terms energy: -170.607099
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -47.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -514.656430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.656430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.656430 (E_RNA)
where:
Base-Base interactions energy: -341.121
where: short stacking energy: -160.488
Base-Backbone interact. energy: -0.091
local terms energy: -173.444395
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -42.194
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -49.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -487.224540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.224540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.224540 (E_RNA)
where:
Base-Base interactions energy: -315.555
where: short stacking energy: -148.264
Base-Backbone interact. energy: -0.146
local terms energy: -171.523657
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -52.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -445.471311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.471311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.471311 (E_RNA)
where:
Base-Base interactions energy: -284.706
where: short stacking energy: -134.612
Base-Backbone interact. energy: -0.061
local terms energy: -160.703931
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -402.642621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.642621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.642621 (E_RNA)
where:
Base-Base interactions energy: -261.433
where: short stacking energy: -129.541
Base-Backbone interact. energy: 0.432
local terms energy: -141.641705
where:
bonds (distance) C4'-P energy: -28.193
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -38.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -322.438512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.438512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.438512 (E_RNA)
where:
Base-Base interactions energy: -191.356
where: short stacking energy: -95.681
Base-Backbone interact. energy: -0.601
local terms energy: -130.481831
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -270.477855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.477855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.477855 (E_RNA)
where:
Base-Base interactions energy: -145.487
where: short stacking energy: -86.667
Base-Backbone interact. energy: -1.043
local terms energy: -123.948266
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -167.980200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.980200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.980200 (E_RNA)
where:
Base-Base interactions energy: -64.550
where: short stacking energy: -43.389
Base-Backbone interact. energy: 2.353
local terms energy: -105.782488
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: 2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -155.544041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.544041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.544041 (E_RNA)
where:
Base-Base interactions energy: -59.903
where: short stacking energy: -41.501
Base-Backbone interact. energy: 0.589
local terms energy: -96.230475
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: 3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -585.436898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.436898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.436898 (E_RNA)
where:
Base-Base interactions energy: -390.167
where: short stacking energy: -181.525
Base-Backbone interact. energy: -0.013
local terms energy: -195.256291
where:
bonds (distance) C4'-P energy: -36.770
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -60.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -546.817706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.817706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.817706 (E_RNA)
where:
Base-Base interactions energy: -346.678
where: short stacking energy: -170.277
Base-Backbone interact. energy: -0.888
local terms energy: -199.252123
where:
bonds (distance) C4'-P energy: -38.006
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -56.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -521.798324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.798324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.798324 (E_RNA)
where:
Base-Base interactions energy: -336.893
where: short stacking energy: -148.806
Base-Backbone interact. energy: -0.857
local terms energy: -184.048165
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -481.834406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.834406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.834406 (E_RNA)
where:
Base-Base interactions energy: -312.201
where: short stacking energy: -160.229
Base-Backbone interact. energy: -0.229
local terms energy: -169.404381
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -424.898902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.898902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.898902 (E_RNA)
where:
Base-Base interactions energy: -258.965
where: short stacking energy: -128.312
Base-Backbone interact. energy: -0.358
local terms energy: -165.575341
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -35.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -412.481363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.481363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.481363 (E_RNA)
where:
Base-Base interactions energy: -258.129
where: short stacking energy: -137.625
Base-Backbone interact. energy: 0.810
local terms energy: -155.161989
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -41.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -325.419617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.419617 (E_RNA)
where:
Base-Base interactions energy: -189.037
where: short stacking energy: -90.842
Base-Backbone interact. energy: 0.644
local terms energy: -137.026189
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -233.754898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.754898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.754898 (E_RNA)
where:
Base-Base interactions energy: -129.468
where: short stacking energy: -76.436
Base-Backbone interact. energy: 2.650
local terms energy: -106.936704
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -37.503
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -169.868196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.868196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.868196 (E_RNA)
where:
Base-Base interactions energy: -63.618
where: short stacking energy: -36.619
Base-Backbone interact. energy: 3.091
local terms energy: -109.341761
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -160.085539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.085539 (E_RNA)
where:
Base-Base interactions energy: -62.200
where: short stacking energy: -50.790
Base-Backbone interact. energy: -0.718
local terms energy: -97.167614
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -570.580824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.580824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.580824 (E_RNA)
where:
Base-Base interactions energy: -370.748
where: short stacking energy: -184.014
Base-Backbone interact. energy: -0.108
local terms energy: -199.725019
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -59.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -541.599683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.599683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.599683 (E_RNA)
where:
Base-Base interactions energy: -349.029
where: short stacking energy: -170.899
Base-Backbone interact. energy: -0.797
local terms energy: -191.773808
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -53.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -497.468742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.468742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.468742 (E_RNA)
where:
Base-Base interactions energy: -318.241
where: short stacking energy: -148.316
Base-Backbone interact. energy: -0.078
local terms energy: -179.149718
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -519.307271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.307271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.307271 (E_RNA)
where:
Base-Base interactions energy: -334.817
where: short stacking energy: -154.301
Base-Backbone interact. energy: -0.764
local terms energy: -183.726361
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -42.764
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -50.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -457.583509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.583509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.583509 (E_RNA)
where:
Base-Base interactions energy: -294.803
where: short stacking energy: -141.826
Base-Backbone interact. energy: -0.918
local terms energy: -161.862214
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -35.343
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -39.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -434.518324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.518324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.518324 (E_RNA)
where:
Base-Base interactions energy: -265.615
where: short stacking energy: -139.667
Base-Backbone interact. energy: -0.788
local terms energy: -168.115821
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -44.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -308.480699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.480699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.480699 (E_RNA)
where:
Base-Base interactions energy: -190.764
where: short stacking energy: -104.448
Base-Backbone interact. energy: -0.908
local terms energy: -116.808043
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -173.659138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.659138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.659138 (E_RNA)
where:
Base-Base interactions energy: -63.276
where: short stacking energy: -54.058
Base-Backbone interact. energy: 2.582
local terms energy: -112.964198
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -9.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -176.854681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.854681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.854681 (E_RNA)
where:
Base-Base interactions energy: -68.611
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.077
local terms energy: -108.166892
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: 2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -145.542391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.542391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.542391 (E_RNA)
where:
Base-Base interactions energy: -57.901
where: short stacking energy: -40.168
Base-Backbone interact. energy: 2.446
local terms energy: -90.087457
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: 11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -570.461898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.461898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.461898 (E_RNA)
where:
Base-Base interactions energy: -371.329
where: short stacking energy: -192.634
Base-Backbone interact. energy: -0.015
local terms energy: -199.118328
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -41.747
flat angles P-C4'-P energy: -34.663
tors. eta vs tors. theta energy: -58.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -526.325331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.325331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.325331 (E_RNA)
where:
Base-Base interactions energy: -336.014
where: short stacking energy: -165.764
Base-Backbone interact. energy: -0.207
local terms energy: -190.103869
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -52.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -522.736864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.736864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.736864 (E_RNA)
where:
Base-Base interactions energy: -351.911
where: short stacking energy: -162.475
Base-Backbone interact. energy: -0.076
local terms energy: -170.750072
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -47.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -453.919565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.919565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.919565 (E_RNA)
where:
Base-Base interactions energy: -297.749
where: short stacking energy: -146.415
Base-Backbone interact. energy: -0.597
local terms energy: -155.573834
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -39.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -458.349431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.349431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.349431 (E_RNA)
where:
Base-Base interactions energy: -281.753
where: short stacking energy: -124.731
Base-Backbone interact. energy: -1.256
local terms energy: -175.340735
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -43.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -394.684214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.684214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.684214 (E_RNA)
where:
Base-Base interactions energy: -244.128
where: short stacking energy: -112.973
Base-Backbone interact. energy: -0.370
local terms energy: -150.186493
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -306.222184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.222184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.222184 (E_RNA)
where:
Base-Base interactions energy: -185.391
where: short stacking energy: -92.163
Base-Backbone interact. energy: 0.874
local terms energy: -121.705177
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -182.018996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.018996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.018996 (E_RNA)
where:
Base-Base interactions energy: -85.570
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.884
local terms energy: -95.565495
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -153.843672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.843672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.843672 (E_RNA)
where:
Base-Base interactions energy: -48.620
where: short stacking energy: -47.249
Base-Backbone interact. energy: -0.967
local terms energy: -104.256154
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -160.715142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.715142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.715142 (E_RNA)
where:
Base-Base interactions energy: -53.303
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.270
local terms energy: -107.142002
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -564.093999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.093999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.093999 (E_RNA)
where:
Base-Base interactions energy: -374.801
where: short stacking energy: -194.340
Base-Backbone interact. energy: -0.015
local terms energy: -189.277790
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -56.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -521.680947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.680947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.680947 (E_RNA)
where:
Base-Base interactions energy: -345.482
where: short stacking energy: -164.545
Base-Backbone interact. energy: -1.122
local terms energy: -175.077306
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -54.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -549.609710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.609710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.609710 (E_RNA)
where:
Base-Base interactions energy: -362.147
where: short stacking energy: -172.788
Base-Backbone interact. energy: -0.017
local terms energy: -187.446279
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -57.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -437.332940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.332940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.332940 (E_RNA)
where:
Base-Base interactions energy: -274.986
where: short stacking energy: -142.217
Base-Backbone interact. energy: -1.869
local terms energy: -160.478061
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -38.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -467.916039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.916039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.916039 (E_RNA)
where:
Base-Base interactions energy: -302.096
where: short stacking energy: -141.046
Base-Backbone interact. energy: -0.187
local terms energy: -165.633146
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -51.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -429.790597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.790597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.790597 (E_RNA)
where:
Base-Base interactions energy: -258.830
where: short stacking energy: -138.333
Base-Backbone interact. energy: 0.337
local terms energy: -171.297580
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -40.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -328.219872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.219872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.219872 (E_RNA)
where:
Base-Base interactions energy: -195.592
where: short stacking energy: -99.258
Base-Backbone interact. energy: -0.883
local terms energy: -131.745496
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -26.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -290.612608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.612608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.612608 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -81.297
Base-Backbone interact. energy: -0.087
local terms energy: -139.148480
where:
bonds (distance) C4'-P energy: -39.581
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -172.638341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.638341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.638341 (E_RNA)
where:
Base-Base interactions energy: -70.620
where: short stacking energy: -63.896
Base-Backbone interact. energy: 2.461
local terms energy: -104.479646
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -151.509560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.509560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.509560 (E_RNA)
where:
Base-Base interactions energy: -32.918
where: short stacking energy: -30.500
Base-Backbone interact. energy: -1.193
local terms energy: -117.398887
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -576.435416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.435416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.435416 (E_RNA)
where:
Base-Base interactions energy: -377.950
where: short stacking energy: -181.233
Base-Backbone interact. energy: -0.013
local terms energy: -198.472682
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -27.284
tors. eta vs tors. theta energy: -56.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -540.319284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.319284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.319284 (E_RNA)
where:
Base-Base interactions energy: -355.409
where: short stacking energy: -161.339
Base-Backbone interact. energy: -0.566
local terms energy: -184.343621
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -52.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -504.753572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.753572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.753572 (E_RNA)
where:
Base-Base interactions energy: -325.345
where: short stacking energy: -150.204
Base-Backbone interact. energy: -0.203
local terms energy: -179.205933
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -34.903
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -50.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -457.521375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.521375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.521375 (E_RNA)
where:
Base-Base interactions energy: -294.424
where: short stacking energy: -148.116
Base-Backbone interact. energy: 0.926
local terms energy: -164.023907
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -38.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -446.281679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.281679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.281679 (E_RNA)
where:
Base-Base interactions energy: -287.553
where: short stacking energy: -131.089
Base-Backbone interact. energy: -0.611
local terms energy: -158.117134
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -33.643
flat angles P-C4'-P energy: -27.385
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -437.848070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.848070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.848070 (E_RNA)
where:
Base-Base interactions energy: -275.169
where: short stacking energy: -141.344
Base-Backbone interact. energy: -1.346
local terms energy: -161.332995
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: -39.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -327.560574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.560574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.560574 (E_RNA)
where:
Base-Base interactions energy: -191.682
where: short stacking energy: -104.169
Base-Backbone interact. energy: 0.217
local terms energy: -136.096296
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -313.278480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.278480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.278480 (E_RNA)
where:
Base-Base interactions energy: -180.259
where: short stacking energy: -89.957
Base-Backbone interact. energy: 0.092
local terms energy: -133.111165
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -175.910030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.910030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.910030 (E_RNA)
where:
Base-Base interactions energy: -69.073
where: short stacking energy: -52.748
Base-Backbone interact. energy: -0.472
local terms energy: -106.365372
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -164.249137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.249137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.249137 (E_RNA)
where:
Base-Base interactions energy: -57.694
where: short stacking energy: -57.694
Base-Backbone interact. energy: 0.525
local terms energy: -107.080224
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -585.498128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.498128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.498128 (E_RNA)
where:
Base-Base interactions energy: -380.346
where: short stacking energy: -185.660
Base-Backbone interact. energy: -0.001
local terms energy: -205.151380
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -58.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -551.732834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.732834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.732834 (E_RNA)
where:
Base-Base interactions energy: -351.441
where: short stacking energy: -160.842
Base-Backbone interact. energy: -0.370
local terms energy: -199.921396
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -39.860
flat angles C4'-P-C4' energy: -39.609
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -51.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -504.791079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.791079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.791079 (E_RNA)
where:
Base-Base interactions energy: -335.547
where: short stacking energy: -160.316
Base-Backbone interact. energy: 0.371
local terms energy: -169.614971
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -46.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -466.036569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.036569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.036569 (E_RNA)
where:
Base-Base interactions energy: -294.189
where: short stacking energy: -130.619
Base-Backbone interact. energy: 1.746
local terms energy: -173.592898
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -35.833
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -46.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -449.606466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.606466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.606466 (E_RNA)
where:
Base-Base interactions energy: -272.253
where: short stacking energy: -133.217
Base-Backbone interact. energy: -0.144
local terms energy: -177.210168
where:
bonds (distance) C4'-P energy: -33.833
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -415.823163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.823163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.823163 (E_RNA)
where:
Base-Base interactions energy: -259.267
where: short stacking energy: -131.570
Base-Backbone interact. energy: -0.495
local terms energy: -156.060598
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -317.678272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.678272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.678272 (E_RNA)
where:
Base-Base interactions energy: -184.561
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.538
local terms energy: -132.578622
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -319.904812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.904812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.904812 (E_RNA)
where:
Base-Base interactions energy: -185.510
where: short stacking energy: -91.156
Base-Backbone interact. energy: 0.220
local terms energy: -134.615629
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -29.272
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -163.521717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.521717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.521717 (E_RNA)
where:
Base-Base interactions energy: -44.912
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.303
local terms energy: -118.306182
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -181.897991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.897991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.897991 (E_RNA)
where:
Base-Base interactions energy: -70.995
where: short stacking energy: -48.583
Base-Backbone interact. energy: 1.141
local terms energy: -112.044195
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -585.416651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.416651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.416651 (E_RNA)
where:
Base-Base interactions energy: -387.338
where: short stacking energy: -191.810
Base-Backbone interact. energy: -0.001
local terms energy: -198.077129
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -44.703
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -56.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -527.827684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.827684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.827684 (E_RNA)
where:
Base-Base interactions energy: -338.260
where: short stacking energy: -155.128
Base-Backbone interact. energy: -0.776
local terms energy: -188.791471
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -544.706421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.706421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.706421 (E_RNA)
where:
Base-Base interactions energy: -344.933
where: short stacking energy: -163.419
Base-Backbone interact. energy: -0.791
local terms energy: -198.982760
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -54.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -485.115224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.115224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.115224 (E_RNA)
where:
Base-Base interactions energy: -305.611
where: short stacking energy: -159.844
Base-Backbone interact. energy: -0.117
local terms energy: -179.387038
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -409.027033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.027033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.027033 (E_RNA)
where:
Base-Base interactions energy: -246.952
where: short stacking energy: -113.400
Base-Backbone interact. energy: -0.499
local terms energy: -161.575393
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -38.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -409.673330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.673330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.673330 (E_RNA)
where:
Base-Base interactions energy: -266.787
where: short stacking energy: -133.222
Base-Backbone interact. energy: -0.053
local terms energy: -142.833168
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -31.769
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -34.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -319.929246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.929246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.929246 (E_RNA)
where:
Base-Base interactions energy: -188.419
where: short stacking energy: -93.371
Base-Backbone interact. energy: 0.272
local terms energy: -131.782490
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -335.659281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.659281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.659281 (E_RNA)
where:
Base-Base interactions energy: -183.983
where: short stacking energy: -95.583
Base-Backbone interact. energy: 0.740
local terms energy: -152.415908
where:
bonds (distance) C4'-P energy: -36.959
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -160.960628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.960628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.960628 (E_RNA)
where:
Base-Base interactions energy: -49.531
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.700
local terms energy: -110.729122
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -160.866531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.866531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.866531 (E_RNA)
where:
Base-Base interactions energy: -49.405
where: short stacking energy: -49.283
Base-Backbone interact. energy: 0.077
local terms energy: -111.539017
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -38.078
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: 2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -579.880699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.880699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.880699 (E_RNA)
where:
Base-Base interactions energy: -389.058
where: short stacking energy: -188.468
Base-Backbone interact. energy: 0.263
local terms energy: -191.085927
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: -55.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -527.547614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.547614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.547614 (E_RNA)
where:
Base-Base interactions energy: -349.620
where: short stacking energy: -161.614
Base-Backbone interact. energy: -0.601
local terms energy: -177.326178
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -46.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -534.674647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.674647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.674647 (E_RNA)
where:
Base-Base interactions energy: -347.211
where: short stacking energy: -161.956
Base-Backbone interact. energy: -0.400
local terms energy: -187.063465
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -56.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -494.826122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.826122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.826122 (E_RNA)
where:
Base-Base interactions energy: -323.741
where: short stacking energy: -149.102
Base-Backbone interact. energy: -0.675
local terms energy: -170.409475
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -36.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -411.375856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.375856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.375856 (E_RNA)
where:
Base-Base interactions energy: -253.032
where: short stacking energy: -118.636
Base-Backbone interact. energy: -0.310
local terms energy: -158.033314
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -40.091
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -379.413328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.413328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.413328 (E_RNA)
where:
Base-Base interactions energy: -234.169
where: short stacking energy: -122.316
Base-Backbone interact. energy: -0.377
local terms energy: -144.867716
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -32.615
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -335.106845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.106845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.106845 (E_RNA)
where:
Base-Base interactions energy: -201.287
where: short stacking energy: -101.844
Base-Backbone interact. energy: 0.051
local terms energy: -133.870732
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -319.043083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.043083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.043083 (E_RNA)
where:
Base-Base interactions energy: -179.714
where: short stacking energy: -88.190
Base-Backbone interact. energy: -0.190
local terms energy: -139.138712
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -247.903922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.903922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.903922 (E_RNA)
where:
Base-Base interactions energy: -134.658
where: short stacking energy: -75.142
Base-Backbone interact. energy: -0.420
local terms energy: -112.825514
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -176.032348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.032348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.032348 (E_RNA)
where:
Base-Base interactions energy: -62.693
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.335
local terms energy: -113.005036
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -583.880679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.880679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.880679 (E_RNA)
where:
Base-Base interactions energy: -384.066
where: short stacking energy: -186.873
Base-Backbone interact. energy: -0.147
local terms energy: -199.667616
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -37.662
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -61.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -541.191512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.191512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.191512 (E_RNA)
where:
Base-Base interactions energy: -352.497
where: short stacking energy: -161.626
Base-Backbone interact. energy: -0.345
local terms energy: -188.348549
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -42.397
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -55.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -513.136360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.136360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.136360 (E_RNA)
where:
Base-Base interactions energy: -340.576
where: short stacking energy: -157.421
Base-Backbone interact. energy: -0.649
local terms energy: -171.910663
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -46.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -450.860174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.860174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.860174 (E_RNA)
where:
Base-Base interactions energy: -285.948
where: short stacking energy: -136.737
Base-Backbone interact. energy: -0.620
local terms energy: -164.291715
where:
bonds (distance) C4'-P energy: -33.025
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -37.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -405.853896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.853896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.853896 (E_RNA)
where:
Base-Base interactions energy: -247.703
where: short stacking energy: -110.467
Base-Backbone interact. energy: -0.375
local terms energy: -157.775056
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -30.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -391.340650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.340650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.340650 (E_RNA)
where:
Base-Base interactions energy: -235.470
where: short stacking energy: -112.967
Base-Backbone interact. energy: -0.365
local terms energy: -155.505318
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -33.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -296.102825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.102825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.102825 (E_RNA)
where:
Base-Base interactions energy: -169.674
where: short stacking energy: -84.940
Base-Backbone interact. energy: -0.219
local terms energy: -126.209943
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -307.607627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.607627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.607627 (E_RNA)
where:
Base-Base interactions energy: -176.224
where: short stacking energy: -94.836
Base-Backbone interact. energy: -0.257
local terms energy: -131.127351
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -295.159152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.159152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.159152 (E_RNA)
where:
Base-Base interactions energy: -174.177
where: short stacking energy: -85.671
Base-Backbone interact. energy: 0.145
local terms energy: -121.127300
where:
bonds (distance) C4'-P energy: -28.120
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -146.128482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.128482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.128482 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -32.314
Base-Backbone interact. energy: 1.865
local terms energy: -109.034342
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -42.274
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -588.782593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.782593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.782593 (E_RNA)
where:
Base-Base interactions energy: -383.263
where: short stacking energy: -193.629
Base-Backbone interact. energy: -0.073
local terms energy: -205.446794
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -58.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -547.493102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.493102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.493102 (E_RNA)
where:
Base-Base interactions energy: -359.247
where: short stacking energy: -177.656
Base-Backbone interact. energy: -0.797
local terms energy: -187.449128
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -49.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -537.785905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.785905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.785905 (E_RNA)
where:
Base-Base interactions energy: -358.885
where: short stacking energy: -161.907
Base-Backbone interact. energy: -0.117
local terms energy: -178.784645
where:
bonds (distance) C4'-P energy: -39.113
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -50.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -472.695984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.695984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.695984 (E_RNA)
where:
Base-Base interactions energy: -304.428
where: short stacking energy: -148.930
Base-Backbone interact. energy: -0.674
local terms energy: -167.594267
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -36.354
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -41.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -414.703577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.703577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.703577 (E_RNA)
where:
Base-Base interactions energy: -245.319
where: short stacking energy: -135.788
Base-Backbone interact. energy: -0.101
local terms energy: -169.284252
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -40.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -360.252032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.252032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.252032 (E_RNA)
where:
Base-Base interactions energy: -222.476
where: short stacking energy: -118.462
Base-Backbone interact. energy: -0.642
local terms energy: -137.134332
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -330.321333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.321333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.321333 (E_RNA)
where:
Base-Base interactions energy: -191.075
where: short stacking energy: -97.512
Base-Backbone interact. energy: -0.110
local terms energy: -139.135778
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -319.465237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.465237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.465237 (E_RNA)
where:
Base-Base interactions energy: -187.130
where: short stacking energy: -97.841
Base-Backbone interact. energy: 3.095
local terms energy: -135.429503
where:
bonds (distance) C4'-P energy: -36.529
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -298.828831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.828831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.828831 (E_RNA)
where:
Base-Base interactions energy: -177.019
where: short stacking energy: -90.101
Base-Backbone interact. energy: 1.886
local terms energy: -123.695580
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -155.103613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.103613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.103613 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.499
local terms energy: -96.928871
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -587.611473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.611473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.611473 (E_RNA)
where:
Base-Base interactions energy: -388.354
where: short stacking energy: -190.359
Base-Backbone interact. energy: -0.396
local terms energy: -198.860712
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -546.902591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.902591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.902591 (E_RNA)
where:
Base-Base interactions energy: -355.227
where: short stacking energy: -158.226
Base-Backbone interact. energy: -0.696
local terms energy: -190.979704
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -56.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -514.353547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.353547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.353547 (E_RNA)
where:
Base-Base interactions energy: -350.959
where: short stacking energy: -153.490
Base-Backbone interact. energy: -0.499
local terms energy: -162.895416
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -470.583274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.583274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.583274 (E_RNA)
where:
Base-Base interactions energy: -293.633
where: short stacking energy: -138.196
Base-Backbone interact. energy: -0.060
local terms energy: -176.890907
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -43.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -395.152169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.152169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.152169 (E_RNA)
where:
Base-Base interactions energy: -240.284
where: short stacking energy: -122.483
Base-Backbone interact. energy: -0.098
local terms energy: -154.770413
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -29.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -326.864092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.864092 (E_RNA)
where:
Base-Base interactions energy: -194.964
where: short stacking energy: -112.386
Base-Backbone interact. energy: -0.469
local terms energy: -131.430650
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -380.641809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.641809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.641809 (E_RNA)
where:
Base-Base interactions energy: -231.370
where: short stacking energy: -106.628
Base-Backbone interact. energy: 0.146
local terms energy: -149.418155
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -28.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -298.682592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.682592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.682592 (E_RNA)
where:
Base-Base interactions energy: -179.193
where: short stacking energy: -90.073
Base-Backbone interact. energy: -0.269
local terms energy: -119.220282
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -302.043406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.043406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.043406 (E_RNA)
where:
Base-Base interactions energy: -184.936
where: short stacking energy: -95.960
Base-Backbone interact. energy: -0.410
local terms energy: -116.697323
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -154.996489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.996489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.996489 (E_RNA)
where:
Base-Base interactions energy: -50.293
where: short stacking energy: -37.436
Base-Backbone interact. energy: -1.046
local terms energy: -103.658234
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -568.460480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.460480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.460480 (E_RNA)
where:
Base-Base interactions energy: -375.759
where: short stacking energy: -183.703
Base-Backbone interact. energy: -0.006
local terms energy: -192.695974
where:
bonds (distance) C4'-P energy: -31.512
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -39.116
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -60.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -543.993896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.993896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.993896 (E_RNA)
where:
Base-Base interactions energy: -362.048
where: short stacking energy: -164.916
Base-Backbone interact. energy: -0.390
local terms energy: -181.556099
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -55.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -513.202258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.202258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.202258 (E_RNA)
where:
Base-Base interactions energy: -329.889
where: short stacking energy: -156.179
Base-Backbone interact. energy: 0.796
local terms energy: -184.109877
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -37.048
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -47.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -483.793980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.793980 (E_RNA)
where:
Base-Base interactions energy: -324.983
where: short stacking energy: -157.244
Base-Backbone interact. energy: -0.387
local terms energy: -158.423918
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -380.529221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.529221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.529221 (E_RNA)
where:
Base-Base interactions energy: -238.265
where: short stacking energy: -121.484
Base-Backbone interact. energy: 0.553
local terms energy: -142.817671
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -29.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -339.076576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.076576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.076576 (E_RNA)
where:
Base-Base interactions energy: -213.540
where: short stacking energy: -104.680
Base-Backbone interact. energy: -1.114
local terms energy: -124.422366
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -367.763452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.763452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.763452 (E_RNA)
where:
Base-Base interactions energy: -228.632
where: short stacking energy: -111.862
Base-Backbone interact. energy: -0.396
local terms energy: -138.735025
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -40.287
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -29.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -298.694670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.694670 (E_RNA)
where:
Base-Base interactions energy: -178.955
where: short stacking energy: -77.968
Base-Backbone interact. energy: 2.104
local terms energy: -121.843577
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -294.485739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.485739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.485739 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.425
local terms energy: -127.567806
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -154.844133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.844133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.844133 (E_RNA)
where:
Base-Base interactions energy: -55.209
where: short stacking energy: -42.183
Base-Backbone interact. energy: 2.058
local terms energy: -101.693047
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: 6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -569.611927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.611927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.611927 (E_RNA)
where:
Base-Base interactions energy: -387.703
where: short stacking energy: -182.843
Base-Backbone interact. energy: -0.168
local terms energy: -181.741340
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -55.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -551.779724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.779724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.779724 (E_RNA)
where:
Base-Base interactions energy: -363.429
where: short stacking energy: -168.815
Base-Backbone interact. energy: -0.234
local terms energy: -188.117003
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -54.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -479.212375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.212375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.212375 (E_RNA)
where:
Base-Base interactions energy: -316.568
where: short stacking energy: -151.627
Base-Backbone interact. energy: -0.626
local terms energy: -162.018708
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -44.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -485.642924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.642924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.642924 (E_RNA)
where:
Base-Base interactions energy: -321.602
where: short stacking energy: -155.709
Base-Backbone interact. energy: -0.253
local terms energy: -163.788242
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -43.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -394.656541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.656541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.656541 (E_RNA)
where:
Base-Base interactions energy: -235.264
where: short stacking energy: -124.524
Base-Backbone interact. energy: -0.780
local terms energy: -158.612896
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -36.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -347.574164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.574164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.574164 (E_RNA)
where:
Base-Base interactions energy: -198.168
where: short stacking energy: -103.950
Base-Backbone interact. energy: 1.722
local terms energy: -151.128514
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -28.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -346.324301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.324301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.324301 (E_RNA)
where:
Base-Base interactions energy: -207.478
where: short stacking energy: -113.270
Base-Backbone interact. energy: -0.286
local terms energy: -138.560832
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -26.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -299.298978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.298978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.298978 (E_RNA)
where:
Base-Base interactions energy: -180.144
where: short stacking energy: -81.115
Base-Backbone interact. energy: 0.689
local terms energy: -119.843324
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -260.499794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.499794 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -63.845
Base-Backbone interact. energy: -1.371
local terms energy: -114.986644
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -150.208921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.208921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.208921 (E_RNA)
where:
Base-Base interactions energy: -58.140
where: short stacking energy: -41.553
Base-Backbone interact. energy: -2.204
local terms energy: -89.864853
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: 5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -574.343511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.343511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.343511 (E_RNA)
where:
Base-Base interactions energy: -383.013
where: short stacking energy: -185.877
Base-Backbone interact. energy: -0.401
local terms energy: -190.929446
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -38.483
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -56.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -548.956064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.956064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.956064 (E_RNA)
where:
Base-Base interactions energy: -365.799
where: short stacking energy: -160.242
Base-Backbone interact. energy: -1.318
local terms energy: -181.838725
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -39.773
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -46.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -510.450973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.450973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.450973 (E_RNA)
where:
Base-Base interactions energy: -334.017
where: short stacking energy: -156.900
Base-Backbone interact. energy: 0.461
local terms energy: -176.894371
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -39.861
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -475.437684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.437684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.437684 (E_RNA)
where:
Base-Base interactions energy: -307.067
where: short stacking energy: -150.044
Base-Backbone interact. energy: 0.729
local terms energy: -169.099599
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -369.814038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.814038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.814038 (E_RNA)
where:
Base-Base interactions energy: -217.722
where: short stacking energy: -120.426
Base-Backbone interact. energy: 0.516
local terms energy: -152.608369
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -33.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -393.346500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.346500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.346500 (E_RNA)
where:
Base-Base interactions energy: -244.644
where: short stacking energy: -119.297
Base-Backbone interact. energy: -0.304
local terms energy: -148.398874
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -313.137420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.137420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.137420 (E_RNA)
where:
Base-Base interactions energy: -180.595
where: short stacking energy: -86.052
Base-Backbone interact. energy: -0.707
local terms energy: -131.835737
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -282.379174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.379174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.379174 (E_RNA)
where:
Base-Base interactions energy: -161.460
where: short stacking energy: -89.034
Base-Backbone interact. energy: -0.191
local terms energy: -120.728998
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -312.598226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.598226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.598226 (E_RNA)
where:
Base-Base interactions energy: -163.777
where: short stacking energy: -80.687
Base-Backbone interact. energy: -0.968
local terms energy: -147.853509
where:
bonds (distance) C4'-P energy: -38.196
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -31.655
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -167.461465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.461465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.461465 (E_RNA)
where:
Base-Base interactions energy: -60.722
where: short stacking energy: -51.719
Base-Backbone interact. energy: -0.501
local terms energy: -106.238872
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -585.046428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.046428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.046428 (E_RNA)
where:
Base-Base interactions energy: -388.676
where: short stacking energy: -192.182
Base-Backbone interact. energy: -0.039
local terms energy: -196.330911
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -40.894
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -58.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -550.771115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.771115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.771115 (E_RNA)
where:
Base-Base interactions energy: -359.093
where: short stacking energy: -174.580
Base-Backbone interact. energy: -1.014
local terms energy: -190.664764
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -55.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -513.152520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.152520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.152520 (E_RNA)
where:
Base-Base interactions energy: -345.084
where: short stacking energy: -165.602
Base-Backbone interact. energy: -0.061
local terms energy: -168.006818
where:
bonds (distance) C4'-P energy: -34.593
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -499.980691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.980691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.980691 (E_RNA)
where:
Base-Base interactions energy: -320.334
where: short stacking energy: -155.592
Base-Backbone interact. energy: -0.144
local terms energy: -179.502514
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -49.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -372.953724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.953724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.953724 (E_RNA)
where:
Base-Base interactions energy: -214.249
where: short stacking energy: -122.332
Base-Backbone interact. energy: -0.026
local terms energy: -158.678013
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -33.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -403.566085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.566085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.566085 (E_RNA)
where:
Base-Base interactions energy: -245.841
where: short stacking energy: -127.879
Base-Backbone interact. energy: -0.462
local terms energy: -157.262735
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -36.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -339.679320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.679320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.679320 (E_RNA)
where:
Base-Base interactions energy: -201.439
where: short stacking energy: -98.128
Base-Backbone interact. energy: -1.985
local terms energy: -136.256016
where:
bonds (distance) C4'-P energy: -37.016
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -314.108446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.108446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.108446 (E_RNA)
where:
Base-Base interactions energy: -190.573
where: short stacking energy: -96.238
Base-Backbone interact. energy: 0.363
local terms energy: -123.899057
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -265.190322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.190322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.190322 (E_RNA)
where:
Base-Base interactions energy: -133.650
where: short stacking energy: -67.622
Base-Backbone interact. energy: 3.387
local terms energy: -134.927349
where:
bonds (distance) C4'-P energy: -37.668
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -158.459095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.459095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.459095 (E_RNA)
where:
Base-Base interactions energy: -54.705
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.514
local terms energy: -103.240331
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -585.225990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.225990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.225990 (E_RNA)
where:
Base-Base interactions energy: -389.819
where: short stacking energy: -197.086
Base-Backbone interact. energy: -0.009
local terms energy: -195.398526
where:
bonds (distance) C4'-P energy: -41.929
bonds (distance) P-C4' energy: -28.055
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -26.410
tors. eta vs tors. theta energy: -59.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -563.236623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.236623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.236623 (E_RNA)
where:
Base-Base interactions energy: -378.079
where: short stacking energy: -179.904
Base-Backbone interact. energy: -0.057
local terms energy: -185.101552
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -52.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -494.783259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.783259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.783259 (E_RNA)
where:
Base-Base interactions energy: -327.284
where: short stacking energy: -155.263
Base-Backbone interact. energy: -0.107
local terms energy: -167.391884
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -37.182
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -44.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -477.915140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.915140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.915140 (E_RNA)
where:
Base-Base interactions energy: -305.840
where: short stacking energy: -138.814
Base-Backbone interact. energy: -0.592
local terms energy: -171.483509
where:
bonds (distance) C4'-P energy: -38.200
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -411.143126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.143126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.143126 (E_RNA)
where:
Base-Base interactions energy: -248.194
where: short stacking energy: -120.767
Base-Backbone interact. energy: -0.025
local terms energy: -162.923391
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -39.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -341.387293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.387293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.387293 (E_RNA)
where:
Base-Base interactions energy: -193.192
where: short stacking energy: -99.449
Base-Backbone interact. energy: -0.725
local terms energy: -147.470422
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -347.674293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.674293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.674293 (E_RNA)
where:
Base-Base interactions energy: -210.929
where: short stacking energy: -112.190
Base-Backbone interact. energy: -0.468
local terms energy: -136.277119
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -296.421743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.421743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.421743 (E_RNA)
where:
Base-Base interactions energy: -185.329
where: short stacking energy: -91.965
Base-Backbone interact. energy: 3.290
local terms energy: -114.382833
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -280.387149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.387149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.387149 (E_RNA)
where:
Base-Base interactions energy: -164.075
where: short stacking energy: -76.225
Base-Backbone interact. energy: -0.958
local terms energy: -115.353666
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -173.987288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.987288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.987288 (E_RNA)
where:
Base-Base interactions energy: -66.895
where: short stacking energy: -44.937
Base-Backbone interact. energy: -0.274
local terms energy: -106.817753
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -585.398967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.398967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.398967 (E_RNA)
where:
Base-Base interactions energy: -395.139
where: short stacking energy: -198.107
Base-Backbone interact. energy: -0.126
local terms energy: -190.134386
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -33.743
flat angles C4'-P-C4' energy: -42.820
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -56.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -550.953427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.953427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.953427 (E_RNA)
where:
Base-Base interactions energy: -358.102
where: short stacking energy: -178.882
Base-Backbone interact. energy: -0.014
local terms energy: -192.837032
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -38.830
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -54.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -493.093501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.093501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.093501 (E_RNA)
where:
Base-Base interactions energy: -316.182
where: short stacking energy: -156.082
Base-Backbone interact. energy: -0.650
local terms energy: -176.261686
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -39.340
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -471.918038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.918038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.918038 (E_RNA)
where:
Base-Base interactions energy: -306.285
where: short stacking energy: -155.252
Base-Backbone interact. energy: -0.062
local terms energy: -165.571129
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -49.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -408.887089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.887089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.887089 (E_RNA)
where:
Base-Base interactions energy: -250.469
where: short stacking energy: -132.803
Base-Backbone interact. energy: -0.484
local terms energy: -157.933744
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -37.178
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -41.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -341.824093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.824093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.824093 (E_RNA)
where:
Base-Base interactions energy: -209.159
where: short stacking energy: -104.354
Base-Backbone interact. energy: -1.003
local terms energy: -131.661895
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -323.076511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.076511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.076511 (E_RNA)
where:
Base-Base interactions energy: -184.986
where: short stacking energy: -105.622
Base-Backbone interact. energy: 1.685
local terms energy: -139.775432
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -307.742678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.742678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.742678 (E_RNA)
where:
Base-Base interactions energy: -189.089
where: short stacking energy: -92.933
Base-Backbone interact. energy: -0.198
local terms energy: -118.455198
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -307.082021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.082021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.082021 (E_RNA)
where:
Base-Base interactions energy: -181.373
where: short stacking energy: -77.618
Base-Backbone interact. energy: -0.424
local terms energy: -125.284890
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -167.827615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.827615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.827615 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.429
local terms energy: -109.723613
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -574.454613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.454613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.454613 (E_RNA)
where:
Base-Base interactions energy: -373.449
where: short stacking energy: -173.752
Base-Backbone interact. energy: -0.128
local terms energy: -200.877971
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -56.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -551.347506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.347506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.347506 (E_RNA)
where:
Base-Base interactions energy: -365.876
where: short stacking energy: -171.270
Base-Backbone interact. energy: -0.045
local terms energy: -185.426745
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -40.013
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -50.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -478.527281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.527281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.527281 (E_RNA)
where:
Base-Base interactions energy: -311.797
where: short stacking energy: -147.025
Base-Backbone interact. energy: -0.804
local terms energy: -165.926032
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -39.514
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -38.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -480.440826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.440826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.440826 (E_RNA)
where:
Base-Base interactions energy: -317.204
where: short stacking energy: -147.316
Base-Backbone interact. energy: -0.310
local terms energy: -162.926802
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -34.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -342.683519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.683519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.683519 (E_RNA)
where:
Base-Base interactions energy: -187.277
where: short stacking energy: -89.973
Base-Backbone interact. energy: -0.802
local terms energy: -154.604593
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -26.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -391.764349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.764349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.764349 (E_RNA)
where:
Base-Base interactions energy: -230.914
where: short stacking energy: -121.848
Base-Backbone interact. energy: -0.183
local terms energy: -160.667056
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -335.331104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.331104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.331104 (E_RNA)
where:
Base-Base interactions energy: -198.939
where: short stacking energy: -97.901
Base-Backbone interact. energy: -0.525
local terms energy: -135.867597
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -317.138693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.138693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.138693 (E_RNA)
where:
Base-Base interactions energy: -186.130
where: short stacking energy: -88.079
Base-Backbone interact. energy: -0.431
local terms energy: -130.577424
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -303.064705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.064705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.064705 (E_RNA)
where:
Base-Base interactions energy: -161.592
where: short stacking energy: -74.316
Base-Backbone interact. energy: 0.755
local terms energy: -142.226934
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -163.181890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.181890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.181890 (E_RNA)
where:
Base-Base interactions energy: -71.679
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.723
local terms energy: -90.779966
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -583.828361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.828361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.828361 (E_RNA)
where:
Base-Base interactions energy: -386.076
where: short stacking energy: -189.972
Base-Backbone interact. energy: 0.649
local terms energy: -198.401724
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -59.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -555.252218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.252218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.252218 (E_RNA)
where:
Base-Base interactions energy: -361.439
where: short stacking energy: -177.034
Base-Backbone interact. energy: -0.098
local terms energy: -193.714905
where:
bonds (distance) C4'-P energy: -34.100
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -56.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -505.702248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.702248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.702248 (E_RNA)
where:
Base-Base interactions energy: -327.000
where: short stacking energy: -160.595
Base-Backbone interact. energy: -0.746
local terms energy: -177.956407
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -49.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -481.600530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.600530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.600530 (E_RNA)
where:
Base-Base interactions energy: -321.730
where: short stacking energy: -151.759
Base-Backbone interact. energy: 0.165
local terms energy: -160.035199
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -368.169750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.169750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.169750 (E_RNA)
where:
Base-Base interactions energy: -227.065
where: short stacking energy: -117.422
Base-Backbone interact. energy: -0.474
local terms energy: -140.631289
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -413.573501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.573501 (E_RNA)
where:
Base-Base interactions energy: -248.312
where: short stacking energy: -134.133
Base-Backbone interact. energy: 0.942
local terms energy: -166.203192
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -40.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -315.828372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.828372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.828372 (E_RNA)
where:
Base-Base interactions energy: -178.786
where: short stacking energy: -92.020
Base-Backbone interact. energy: -0.280
local terms energy: -136.762340
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -321.491817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.491817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.491817 (E_RNA)
where:
Base-Base interactions energy: -198.628
where: short stacking energy: -101.690
Base-Backbone interact. energy: -1.128
local terms energy: -121.735420
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -288.575873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.575873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.575873 (E_RNA)
where:
Base-Base interactions energy: -175.192
where: short stacking energy: -84.379
Base-Backbone interact. energy: -0.338
local terms energy: -113.045411
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -38.007
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -156.671670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.671670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.671670 (E_RNA)
where:
Base-Base interactions energy: -51.517
where: short stacking energy: -47.248
Base-Backbone interact. energy: 0.111
local terms energy: -105.265975
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -579.214070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.214070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.214070 (E_RNA)
where:
Base-Base interactions energy: -379.395
where: short stacking energy: -195.110
Base-Backbone interact. energy: -0.020
local terms energy: -199.799736
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -39.827
flat angles C4'-P-C4' energy: -41.907
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -58.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -537.901195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.901195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.901195 (E_RNA)
where:
Base-Base interactions energy: -349.931
where: short stacking energy: -167.554
Base-Backbone interact. energy: -0.202
local terms energy: -187.768740
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -52.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -482.662683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.662683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.662683 (E_RNA)
where:
Base-Base interactions energy: -314.595
where: short stacking energy: -140.046
Base-Backbone interact. energy: -0.139
local terms energy: -167.928265
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -40.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -488.962883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.962883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.962883 (E_RNA)
where:
Base-Base interactions energy: -319.040
where: short stacking energy: -160.180
Base-Backbone interact. energy: 0.673
local terms energy: -170.595842
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -397.500719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.500719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.500719 (E_RNA)
where:
Base-Base interactions energy: -235.553
where: short stacking energy: -111.508
Base-Backbone interact. energy: -0.390
local terms energy: -161.557768
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -327.820347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.820347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.820347 (E_RNA)
where:
Base-Base interactions energy: -182.351
where: short stacking energy: -92.398
Base-Backbone interact. energy: -0.020
local terms energy: -145.449079
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -321.551131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.551131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.551131 (E_RNA)
where:
Base-Base interactions energy: -188.648
where: short stacking energy: -87.956
Base-Backbone interact. energy: 0.467
local terms energy: -133.369371
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -311.155050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.155050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.155050 (E_RNA)
where:
Base-Base interactions energy: -184.401
where: short stacking energy: -88.598
Base-Backbone interact. energy: -0.378
local terms energy: -126.375432
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -25.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -262.315821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.315821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.315821 (E_RNA)
where:
Base-Base interactions energy: -160.583
where: short stacking energy: -78.278
Base-Backbone interact. energy: 3.394
local terms energy: -105.126666
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -154.168666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.168666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.168666 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.360
local terms energy: -119.262175
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -570.555145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.555145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.555145 (E_RNA)
where:
Base-Base interactions energy: -370.125
where: short stacking energy: -189.093
Base-Backbone interact. energy: -0.211
local terms energy: -200.218884
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -59.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -535.846802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.846802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.846802 (E_RNA)
where:
Base-Base interactions energy: -343.853
where: short stacking energy: -163.359
Base-Backbone interact. energy: -0.131
local terms energy: -191.863011
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -45.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -501.384790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.384790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.384790 (E_RNA)
where:
Base-Base interactions energy: -318.068
where: short stacking energy: -152.006
Base-Backbone interact. energy: -0.248
local terms energy: -183.069056
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -45.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -484.622274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.622274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.622274 (E_RNA)
where:
Base-Base interactions energy: -304.883
where: short stacking energy: -137.306
Base-Backbone interact. energy: -0.239
local terms energy: -179.500242
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -48.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -414.474082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.474082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.474082 (E_RNA)
where:
Base-Base interactions energy: -254.241
where: short stacking energy: -136.527
Base-Backbone interact. energy: 0.780
local terms energy: -161.013102
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -34.645
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -324.978561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.978561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.978561 (E_RNA)
where:
Base-Base interactions energy: -197.722
where: short stacking energy: -89.974
Base-Backbone interact. energy: 0.318
local terms energy: -127.574646
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -336.651545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.651545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.651545 (E_RNA)
where:
Base-Base interactions energy: -202.007
where: short stacking energy: -101.632
Base-Backbone interact. energy: -0.927
local terms energy: -133.717616
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -271.348067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.348067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.348067 (E_RNA)
where:
Base-Base interactions energy: -142.433
where: short stacking energy: -73.623
Base-Backbone interact. energy: 0.628
local terms energy: -129.543580
where:
bonds (distance) C4'-P energy: -40.256
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -296.355344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.355344 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -82.309
Base-Backbone interact. energy: -0.958
local terms energy: -104.982411
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -30.190
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -153.078040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.078040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.078040 (E_RNA)
where:
Base-Base interactions energy: -45.696
where: short stacking energy: -25.674
Base-Backbone interact. energy: 1.080
local terms energy: -108.462056
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: 6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -576.195998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.195998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.195998 (E_RNA)
where:
Base-Base interactions energy: -381.358
where: short stacking energy: -186.396
Base-Backbone interact. energy: -0.006
local terms energy: -194.832390
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -40.225
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -58.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -532.710993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.710993 (E_RNA)
where:
Base-Base interactions energy: -358.273
where: short stacking energy: -164.496
Base-Backbone interact. energy: 0.146
local terms energy: -174.584198
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -48.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -483.860076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.860076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.860076 (E_RNA)
where:
Base-Base interactions energy: -319.671
where: short stacking energy: -153.465
Base-Backbone interact. energy: -0.406
local terms energy: -163.782934
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -46.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -498.589887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.589887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.589887 (E_RNA)
where:
Base-Base interactions energy: -335.716
where: short stacking energy: -165.966
Base-Backbone interact. energy: -0.297
local terms energy: -162.577477
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -36.663
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -385.089893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.089893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.089893 (E_RNA)
where:
Base-Base interactions energy: -240.407
where: short stacking energy: -119.334
Base-Backbone interact. energy: -0.405
local terms energy: -144.277495
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -336.217844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.217844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.217844 (E_RNA)
where:
Base-Base interactions energy: -202.751
where: short stacking energy: -95.096
Base-Backbone interact. energy: -0.883
local terms energy: -132.584000
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -335.281902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.281902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.281902 (E_RNA)
where:
Base-Base interactions energy: -200.272
where: short stacking energy: -100.094
Base-Backbone interact. energy: -0.206
local terms energy: -134.803317
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -39.640
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -259.385864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.385864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.385864 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -76.651
Base-Backbone interact. energy: -0.480
local terms energy: -120.899377
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -29.387
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -26.574
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -304.450599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.450599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.450599 (E_RNA)
where:
Base-Base interactions energy: -183.664
where: short stacking energy: -87.154
Base-Backbone interact. energy: 1.246
local terms energy: -122.032314
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -149.534471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.534471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.534471 (E_RNA)
where:
Base-Base interactions energy: -47.088
where: short stacking energy: -43.887
Base-Backbone interact. energy: -0.538
local terms energy: -101.908284
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -30.083
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: 5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -577.237791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.237791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.237791 (E_RNA)
where:
Base-Base interactions energy: -386.273
where: short stacking energy: -187.302
Base-Backbone interact. energy: 0.018
local terms energy: -190.982317
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -55.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -531.461981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.461981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.461981 (E_RNA)
where:
Base-Base interactions energy: -351.378
where: short stacking energy: -165.403
Base-Backbone interact. energy: -0.727
local terms energy: -179.356784
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -52.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -485.999581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.999581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.999581 (E_RNA)
where:
Base-Base interactions energy: -322.277
where: short stacking energy: -135.684
Base-Backbone interact. energy: -0.538
local terms energy: -163.184681
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -40.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -512.300442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.300442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.300442 (E_RNA)
where:
Base-Base interactions energy: -340.618
where: short stacking energy: -163.136
Base-Backbone interact. energy: -0.229
local terms energy: -171.453681
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -48.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -402.456448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.456448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.456448 (E_RNA)
where:
Base-Base interactions energy: -239.760
where: short stacking energy: -112.340
Base-Backbone interact. energy: -0.489
local terms energy: -162.207457
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -37.506
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -32.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -349.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.672102 (E_RNA)
where:
Base-Base interactions energy: -203.974
where: short stacking energy: -113.589
Base-Backbone interact. energy: -1.131
local terms energy: -144.567375
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -32.687
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -30.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -314.848988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.848988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.848988 (E_RNA)
where:
Base-Base interactions energy: -180.970
where: short stacking energy: -90.008
Base-Backbone interact. energy: -0.604
local terms energy: -133.275192
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -312.330614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.330614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.330614 (E_RNA)
where:
Base-Base interactions energy: -183.125
where: short stacking energy: -92.644
Base-Backbone interact. energy: -0.239
local terms energy: -128.966046
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -270.471378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.471378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.471378 (E_RNA)
where:
Base-Base interactions energy: -161.332
where: short stacking energy: -79.808
Base-Backbone interact. energy: 1.008
local terms energy: -110.147916
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -179.437517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.437517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.437517 (E_RNA)
where:
Base-Base interactions energy: -65.028
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.371
local terms energy: -114.037846
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -570.649145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.649145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.649145 (E_RNA)
where:
Base-Base interactions energy: -381.163
where: short stacking energy: -177.551
Base-Backbone interact. energy: -0.050
local terms energy: -189.435703
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -37.980
flat angles C4'-P-C4' energy: -40.570
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -54.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -545.950700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.950700 (E_RNA)
where:
Base-Base interactions energy: -350.880
where: short stacking energy: -164.283
Base-Backbone interact. energy: -0.133
local terms energy: -194.937256
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -41.803
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: -54.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -517.498658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.498658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.498658 (E_RNA)
where:
Base-Base interactions energy: -334.773
where: short stacking energy: -156.975
Base-Backbone interact. energy: -0.020
local terms energy: -182.705565
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -38.634
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -54.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -494.472388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.472388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.472388 (E_RNA)
where:
Base-Base interactions energy: -326.553
where: short stacking energy: -166.833
Base-Backbone interact. energy: -0.167
local terms energy: -167.753135
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -51.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -407.589221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.589221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.589221 (E_RNA)
where:
Base-Base interactions energy: -244.798
where: short stacking energy: -128.414
Base-Backbone interact. energy: -0.242
local terms energy: -162.549901
where:
bonds (distance) C4'-P energy: -32.225
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -40.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -336.130054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.130054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.130054 (E_RNA)
where:
Base-Base interactions energy: -198.474
where: short stacking energy: -100.839
Base-Backbone interact. energy: -0.780
local terms energy: -136.876159
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -326.390456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.390456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.390456 (E_RNA)
where:
Base-Base interactions energy: -200.355
where: short stacking energy: -102.664
Base-Backbone interact. energy: -0.195
local terms energy: -125.840641
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -26.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -323.041147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.041147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.041147 (E_RNA)
where:
Base-Base interactions energy: -180.619
where: short stacking energy: -89.543
Base-Backbone interact. energy: -0.363
local terms energy: -142.059231
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -161.407019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.407019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.407019 (E_RNA)
where:
Base-Base interactions energy: -62.727
where: short stacking energy: -36.045
Base-Backbone interact. energy: 0.651
local terms energy: -99.330784
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -36.001
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: 7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -253.818992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.818992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.818992 (E_RNA)
where:
Base-Base interactions energy: -142.212
where: short stacking energy: -75.090
Base-Backbone interact. energy: -0.436
local terms energy: -111.170428
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -567.041473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.041473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.041473 (E_RNA)
where:
Base-Base interactions energy: -370.593
where: short stacking energy: -191.300
Base-Backbone interact. energy: -0.088
local terms energy: -196.360465
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -54.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -542.343992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.343992 (E_RNA)
where:
Base-Base interactions energy: -360.191
where: short stacking energy: -156.555
Base-Backbone interact. energy: -1.288
local terms energy: -180.865282
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -39.090
flat angles P-C4'-P energy: -30.447
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -525.295754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.295754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.295754 (E_RNA)
where:
Base-Base interactions energy: -347.206
where: short stacking energy: -158.387
Base-Backbone interact. energy: -0.593
local terms energy: -177.496439
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -442.626326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.626326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.626326 (E_RNA)
where:
Base-Base interactions energy: -272.173
where: short stacking energy: -137.058
Base-Backbone interact. energy: -0.379
local terms energy: -170.074798
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -29.009
tors. eta vs tors. theta energy: -41.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -429.035656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.035656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.035656 (E_RNA)
where:
Base-Base interactions energy: -269.706
where: short stacking energy: -130.938
Base-Backbone interact. energy: -0.682
local terms energy: -158.646820
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -43.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -345.937771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.937771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.937771 (E_RNA)
where:
Base-Base interactions energy: -205.338
where: short stacking energy: -108.940
Base-Backbone interact. energy: 0.453
local terms energy: -141.053579
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -322.988678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.988678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.988678 (E_RNA)
where:
Base-Base interactions energy: -185.532
where: short stacking energy: -95.925
Base-Backbone interact. energy: -0.438
local terms energy: -137.018032
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -315.762018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.762018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.762018 (E_RNA)
where:
Base-Base interactions energy: -173.906
where: short stacking energy: -86.835
Base-Backbone interact. energy: 1.174
local terms energy: -143.029550
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -34.618
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -174.109385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.109385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.109385 (E_RNA)
where:
Base-Base interactions energy: -82.082
where: short stacking energy: -45.263
Base-Backbone interact. energy: -1.246
local terms energy: -90.781028
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: 5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -212.418099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.418099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.418099 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.581
local terms energy: -96.523513
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -565.082784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.082784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.082784 (E_RNA)
where:
Base-Base interactions energy: -367.848
where: short stacking energy: -179.383
Base-Backbone interact. energy: -0.789
local terms energy: -196.445627
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -56.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -548.539423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.539423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.539423 (E_RNA)
where:
Base-Base interactions energy: -362.234
where: short stacking energy: -156.414
Base-Backbone interact. energy: -0.129
local terms energy: -186.176065
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -49.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -521.179032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.179032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.179032 (E_RNA)
where:
Base-Base interactions energy: -330.349
where: short stacking energy: -164.164
Base-Backbone interact. energy: -0.349
local terms energy: -190.480326
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -49.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -425.547378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.547378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.547378 (E_RNA)
where:
Base-Base interactions energy: -248.317
where: short stacking energy: -132.341
Base-Backbone interact. energy: -0.111
local terms energy: -177.119286
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -37.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -426.590531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.590531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.590531 (E_RNA)
where:
Base-Base interactions energy: -274.884
where: short stacking energy: -140.447
Base-Backbone interact. energy: 1.378
local terms energy: -153.085184
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -312.403704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.403704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.403704 (E_RNA)
where:
Base-Base interactions energy: -182.983
where: short stacking energy: -92.429
Base-Backbone interact. energy: 0.397
local terms energy: -129.818032
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -331.105047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.105047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.105047 (E_RNA)
where:
Base-Base interactions energy: -194.851
where: short stacking energy: -107.886
Base-Backbone interact. energy: -0.189
local terms energy: -136.064606
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -305.408444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.408444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.408444 (E_RNA)
where:
Base-Base interactions energy: -170.877
where: short stacking energy: -79.723
Base-Backbone interact. energy: -1.121
local terms energy: -133.410272
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -167.500761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.500761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.500761 (E_RNA)
where:
Base-Base interactions energy: -66.902
where: short stacking energy: -55.778
Base-Backbone interact. energy: 1.186
local terms energy: -101.784333
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: 2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -150.095205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.095205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.095205 (E_RNA)
where:
Base-Base interactions energy: -46.883
where: short stacking energy: -45.729
Base-Backbone interact. energy: 3.482
local terms energy: -106.694598
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: 5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -566.454443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.454443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.454443 (E_RNA)
where:
Base-Base interactions energy: -369.241
where: short stacking energy: -173.738
Base-Backbone interact. energy: -0.383
local terms energy: -196.830065
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -550.591407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.591407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.591407 (E_RNA)
where:
Base-Base interactions energy: -371.386
where: short stacking energy: -166.253
Base-Backbone interact. energy: -0.180
local terms energy: -179.025010
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -38.263
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -47.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -505.475874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.475874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.475874 (E_RNA)
where:
Base-Base interactions energy: -331.743
where: short stacking energy: -148.950
Base-Backbone interact. energy: 0.018
local terms energy: -173.750929
where:
bonds (distance) C4'-P energy: -30.922
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -44.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -444.463682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.463682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.463682 (E_RNA)
where:
Base-Base interactions energy: -284.208
where: short stacking energy: -149.361
Base-Backbone interact. energy: -0.051
local terms energy: -160.204198
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -437.705395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.705395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.705395 (E_RNA)
where:
Base-Base interactions energy: -279.091
where: short stacking energy: -122.584
Base-Backbone interact. energy: -2.369
local terms energy: -156.245328
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -34.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -368.013460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.013460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.013460 (E_RNA)
where:
Base-Base interactions energy: -216.934
where: short stacking energy: -109.741
Base-Backbone interact. energy: -0.676
local terms energy: -150.403467
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -340.160981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.160981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.160981 (E_RNA)
where:
Base-Base interactions energy: -189.540
where: short stacking energy: -99.329
Base-Backbone interact. energy: 0.557
local terms energy: -151.177652
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -180.769876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.769876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.769876 (E_RNA)
where:
Base-Base interactions energy: -67.096
where: short stacking energy: -62.588
Base-Backbone interact. energy: 0.438
local terms energy: -114.111482
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -310.981788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.981788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.981788 (E_RNA)
where:
Base-Base interactions energy: -195.586
where: short stacking energy: -90.222
Base-Backbone interact. energy: -0.835
local terms energy: -114.560348
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -167.821213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.821213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.821213 (E_RNA)
where:
Base-Base interactions energy: -60.649
where: short stacking energy: -55.507
Base-Backbone interact. energy: 3.377
local terms energy: -110.549169
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -556.761586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.761586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.761586 (E_RNA)
where:
Base-Base interactions energy: -373.961
where: short stacking energy: -156.095
Base-Backbone interact. energy: -0.597
local terms energy: -182.202694
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -46.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -585.337661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.337661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.337661 (E_RNA)
where:
Base-Base interactions energy: -385.479
where: short stacking energy: -181.249
Base-Backbone interact. energy: -0.216
local terms energy: -199.643074
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -58.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -508.871621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.871621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.871621 (E_RNA)
where:
Base-Base interactions energy: -333.184
where: short stacking energy: -149.501
Base-Backbone interact. energy: -0.603
local terms energy: -175.084757
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -44.182
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -408.784699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.784699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.784699 (E_RNA)
where:
Base-Base interactions energy: -262.254
where: short stacking energy: -136.340
Base-Backbone interact. energy: -0.618
local terms energy: -145.912739
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -413.890638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.890638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.890638 (E_RNA)
where:
Base-Base interactions energy: -269.033
where: short stacking energy: -131.236
Base-Backbone interact. energy: 0.121
local terms energy: -144.978479
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -372.719592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.719592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.719592 (E_RNA)
where:
Base-Base interactions energy: -214.140
where: short stacking energy: -103.678
Base-Backbone interact. energy: -0.272
local terms energy: -158.307990
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -338.337033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.337033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.337033 (E_RNA)
where:
Base-Base interactions energy: -198.835
where: short stacking energy: -108.819
Base-Backbone interact. energy: 0.151
local terms energy: -139.652528
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -27.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -197.218282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.218282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.218282 (E_RNA)
where:
Base-Base interactions energy: -78.158
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.902
local terms energy: -118.158661
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -294.394184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.394184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.394184 (E_RNA)
where:
Base-Base interactions energy: -165.284
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.330
local terms energy: -128.779385
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -171.296540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296540 (E_RNA)
where:
Base-Base interactions energy: -77.368
where: short stacking energy: -60.010
Base-Backbone interact. energy: 0.083
local terms energy: -94.011926
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -554.361120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.361120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.361120 (E_RNA)
where:
Base-Base interactions energy: -370.110
where: short stacking energy: -174.768
Base-Backbone interact. energy: -0.655
local terms energy: -183.596488
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -49.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -565.792589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.792589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.792589 (E_RNA)
where:
Base-Base interactions energy: -376.595
where: short stacking energy: -182.671
Base-Backbone interact. energy: 0.086
local terms energy: -189.283970
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -57.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -531.786118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.786118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.786118 (E_RNA)
where:
Base-Base interactions energy: -345.300
where: short stacking energy: -168.385
Base-Backbone interact. energy: -0.069
local terms energy: -186.417643
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -55.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -451.115719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.115719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.115719 (E_RNA)
where:
Base-Base interactions energy: -290.374
where: short stacking energy: -145.917
Base-Backbone interact. energy: -0.273
local terms energy: -160.468034
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -389.537650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.537650 (E_RNA)
where:
Base-Base interactions energy: -245.733
where: short stacking energy: -117.928
Base-Backbone interact. energy: -0.416
local terms energy: -143.388648
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -347.338782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.338782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.338782 (E_RNA)
where:
Base-Base interactions energy: -206.775
where: short stacking energy: -103.500
Base-Backbone interact. energy: -0.565
local terms energy: -139.998890
where:
bonds (distance) C4'-P energy: -34.164
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -325.783689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.783689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.783689 (E_RNA)
where:
Base-Base interactions energy: -196.014
where: short stacking energy: -103.927
Base-Backbone interact. energy: -0.315
local terms energy: -129.455497
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -320.735825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.735825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.735825 (E_RNA)
where:
Base-Base interactions energy: -193.443
where: short stacking energy: -99.269
Base-Backbone interact. energy: -0.176
local terms energy: -127.116568
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -171.563966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.563966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.563966 (E_RNA)
where:
Base-Base interactions energy: -69.613
where: short stacking energy: -41.999
Base-Backbone interact. energy: -1.071
local terms energy: -100.879511
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -200.596906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.596906 (E_RNA)
where:
Base-Base interactions energy: -87.530
where: short stacking energy: -50.026
Base-Backbone interact. energy: -0.688
local terms energy: -112.378226
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -572.190683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.190683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.190683 (E_RNA)
where:
Base-Base interactions energy: -373.081
where: short stacking energy: -183.415
Base-Backbone interact. energy: -0.133
local terms energy: -198.976424
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -59.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -534.118690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.118690 (E_RNA)
where:
Base-Base interactions energy: -358.886
where: short stacking energy: -159.885
Base-Backbone interact. energy: -1.053
local terms energy: -174.180207
where:
bonds (distance) C4'-P energy: -32.917
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -51.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -519.803875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.803875 (E_RNA)
where:
Base-Base interactions energy: -358.695
where: short stacking energy: -172.741
Base-Backbone interact. energy: 0.682
local terms energy: -161.790911
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -466.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.971053 (E_RNA)
where:
Base-Base interactions energy: -299.578
where: short stacking energy: -139.035
Base-Backbone interact. energy: -0.267
local terms energy: -167.126468
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -374.562193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.562193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.562193 (E_RNA)
where:
Base-Base interactions energy: -219.569
where: short stacking energy: -127.366
Base-Backbone interact. energy: 2.104
local terms energy: -157.096851
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -36.548
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -399.898298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.898298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.898298 (E_RNA)
where:
Base-Base interactions energy: -251.593
where: short stacking energy: -118.314
Base-Backbone interact. energy: -0.567
local terms energy: -147.737705
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -30.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -340.228716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.228716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.228716 (E_RNA)
where:
Base-Base interactions energy: -202.804
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.503
local terms energy: -136.921276
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -35.949
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -341.034094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.034094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.034094 (E_RNA)
where:
Base-Base interactions energy: -195.503
where: short stacking energy: -111.651
Base-Backbone interact. energy: 0.383
local terms energy: -145.913981
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -30.350
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -226.357399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.357399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.357399 (E_RNA)
where:
Base-Base interactions energy: -110.826
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.671
local terms energy: -114.860441
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -172.425996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.425996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.425996 (E_RNA)
where:
Base-Base interactions energy: -57.023
where: short stacking energy: -46.330
Base-Backbone interact. energy: -0.964
local terms energy: -114.438596
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -571.644340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.644340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.644340 (E_RNA)
where:
Base-Base interactions energy: -380.652
where: short stacking energy: -183.209
Base-Backbone interact. energy: -0.182
local terms energy: -190.810877
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -36.891
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -62.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -550.371085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.371085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.371085 (E_RNA)
where:
Base-Base interactions energy: -359.718
where: short stacking energy: -170.735
Base-Backbone interact. energy: 0.061
local terms energy: -190.714512
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -49.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -518.049129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.049129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.049129 (E_RNA)
where:
Base-Base interactions energy: -352.462
where: short stacking energy: -168.135
Base-Backbone interact. energy: -0.052
local terms energy: -165.534708
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -447.606794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.606794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.606794 (E_RNA)
where:
Base-Base interactions energy: -287.849
where: short stacking energy: -142.137
Base-Backbone interact. energy: 2.165
local terms energy: -161.921990
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -351.987638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.987638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.987638 (E_RNA)
where:
Base-Base interactions energy: -204.770
where: short stacking energy: -114.491
Base-Backbone interact. energy: -0.111
local terms energy: -147.106581
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -387.418584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.418584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.418584 (E_RNA)
where:
Base-Base interactions energy: -231.899
where: short stacking energy: -129.639
Base-Backbone interact. energy: -0.258
local terms energy: -155.261281
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -42.123
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -44.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -330.909364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.909364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.909364 (E_RNA)
where:
Base-Base interactions energy: -198.438
where: short stacking energy: -108.141
Base-Backbone interact. energy: -0.126
local terms energy: -132.345409
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -318.368215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.368215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.368215 (E_RNA)
where:
Base-Base interactions energy: -187.017
where: short stacking energy: -87.636
Base-Backbone interact. energy: -0.197
local terms energy: -131.154180
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -225.718880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.718880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.718880 (E_RNA)
where:
Base-Base interactions energy: -94.930
where: short stacking energy: -51.831
Base-Backbone interact. energy: -1.089
local terms energy: -129.699907
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -155.386838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.386838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.386838 (E_RNA)
where:
Base-Base interactions energy: -64.799
where: short stacking energy: -51.023
Base-Backbone interact. energy: -0.343
local terms energy: -90.245014
where:
bonds (distance) C4'-P energy: -30.653
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -576.694321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.694321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.694321 (E_RNA)
where:
Base-Base interactions energy: -382.008
where: short stacking energy: -188.436
Base-Backbone interact. energy: 0.624
local terms energy: -195.310425
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -61.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -530.308245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.308245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.308245 (E_RNA)
where:
Base-Base interactions energy: -347.619
where: short stacking energy: -161.562
Base-Backbone interact. energy: -0.307
local terms energy: -182.382376
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -39.465
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -49.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -522.876836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.876836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.876836 (E_RNA)
where:
Base-Base interactions energy: -331.552
where: short stacking energy: -165.497
Base-Backbone interact. energy: -0.423
local terms energy: -190.901796
where:
bonds (distance) C4'-P energy: -38.292
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -46.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -470.003303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.003303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.003303 (E_RNA)
where:
Base-Base interactions energy: -299.591
where: short stacking energy: -139.647
Base-Backbone interact. energy: -0.409
local terms energy: -170.003260
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -40.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -396.805541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.805541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.805541 (E_RNA)
where:
Base-Base interactions energy: -241.580
where: short stacking energy: -119.438
Base-Backbone interact. energy: 0.553
local terms energy: -155.778876
where:
bonds (distance) C4'-P energy: -36.138
bonds (distance) P-C4' energy: -35.556
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -347.278230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.278230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.278230 (E_RNA)
where:
Base-Base interactions energy: -200.500
where: short stacking energy: -110.562
Base-Backbone interact. energy: -0.541
local terms energy: -146.237159
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -329.736471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.736471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.736471 (E_RNA)
where:
Base-Base interactions energy: -203.821
where: short stacking energy: -105.522
Base-Backbone interact. energy: -0.149
local terms energy: -125.766576
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -26.419
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -310.076032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.076032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.076032 (E_RNA)
where:
Base-Base interactions energy: -175.037
where: short stacking energy: -90.697
Base-Backbone interact. energy: 0.071
local terms energy: -135.110207
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -233.511773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.511773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.511773 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.173
local terms energy: -121.746569
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -188.159149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.159149 (E_RNA)
where:
Base-Base interactions energy: -85.720
where: short stacking energy: -53.035
Base-Backbone interact. energy: 0.225
local terms energy: -102.664016
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: 3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -594.642705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.642705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.642705 (E_RNA)
where:
Base-Base interactions energy: -389.531
where: short stacking energy: -187.363
Base-Backbone interact. energy: -0.115
local terms energy: -204.997315
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -59.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -510.152165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.152165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.152165 (E_RNA)
where:
Base-Base interactions energy: -348.067
where: short stacking energy: -157.551
Base-Backbone interact. energy: 0.053
local terms energy: -162.137851
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -43.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -518.430955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.430955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.430955 (E_RNA)
where:
Base-Base interactions energy: -335.126
where: short stacking energy: -164.763
Base-Backbone interact. energy: 1.068
local terms energy: -184.373068
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -31.331
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -49.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -463.927959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.927959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.927959 (E_RNA)
where:
Base-Base interactions energy: -288.116
where: short stacking energy: -146.834
Base-Backbone interact. energy: 0.191
local terms energy: -176.002821
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -41.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -430.974053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.974053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.974053 (E_RNA)
where:
Base-Base interactions energy: -274.845
where: short stacking energy: -138.935
Base-Backbone interact. energy: 0.247
local terms energy: -156.376011
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -326.523450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.523450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.523450 (E_RNA)
where:
Base-Base interactions energy: -192.782
where: short stacking energy: -106.462
Base-Backbone interact. energy: -0.179
local terms energy: -133.562584
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -35.513
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -310.358375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.358375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.358375 (E_RNA)
where:
Base-Base interactions energy: -184.355
where: short stacking energy: -96.608
Base-Backbone interact. energy: -0.486
local terms energy: -125.517050
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -35.930
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -313.312511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.312511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.312511 (E_RNA)
where:
Base-Base interactions energy: -178.044
where: short stacking energy: -88.719
Base-Backbone interact. energy: -2.200
local terms energy: -133.068179
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -227.134655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.134655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.134655 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -67.005
Base-Backbone interact. energy: 0.861
local terms energy: -101.881830
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -165.626853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.626853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.626853 (E_RNA)
where:
Base-Base interactions energy: -72.197
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.383
local terms energy: -93.046492
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -587.169724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.169724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.169724 (E_RNA)
where:
Base-Base interactions energy: -384.157
where: short stacking energy: -187.535
Base-Backbone interact. energy: -0.014
local terms energy: -202.998155
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -59.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -518.580792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.580792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.580792 (E_RNA)
where:
Base-Base interactions energy: -346.009
where: short stacking energy: -154.126
Base-Backbone interact. energy: -0.700
local terms energy: -171.872300
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -41.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -532.820279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.820279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.820279 (E_RNA)
where:
Base-Base interactions energy: -346.245
where: short stacking energy: -163.010
Base-Backbone interact. energy: -0.286
local terms energy: -186.288945
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -50.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -445.286566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.286566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.286566 (E_RNA)
where:
Base-Base interactions energy: -279.783
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.214
local terms energy: -165.289588
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -39.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -402.286242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.286242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.286242 (E_RNA)
where:
Base-Base interactions energy: -255.104
where: short stacking energy: -116.547
Base-Backbone interact. energy: -0.310
local terms energy: -146.872280
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -331.397931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.397931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.397931 (E_RNA)
where:
Base-Base interactions energy: -192.919
where: short stacking energy: -96.611
Base-Backbone interact. energy: -0.336
local terms energy: -138.143640
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -22.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -351.194435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.194435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.194435 (E_RNA)
where:
Base-Base interactions energy: -210.209
where: short stacking energy: -104.836
Base-Backbone interact. energy: -0.190
local terms energy: -140.795783
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -306.833030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.833030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.833030 (E_RNA)
where:
Base-Base interactions energy: -190.386
where: short stacking energy: -96.208
Base-Backbone interact. energy: 1.694
local terms energy: -118.141155
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -169.754945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.754945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.754945 (E_RNA)
where:
Base-Base interactions energy: -76.088
where: short stacking energy: -46.205
Base-Backbone interact. energy: -1.041
local terms energy: -92.625078
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: 5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -159.761758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.761758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.761758 (E_RNA)
where:
Base-Base interactions energy: -63.069
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.752
local terms energy: -95.941184
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -584.959477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.959477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.959477 (E_RNA)
where:
Base-Base interactions energy: -394.773
where: short stacking energy: -200.463
Base-Backbone interact. energy: 0.466
local terms energy: -190.652154
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -42.100
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -58.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -534.502030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.502030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.502030 (E_RNA)
where:
Base-Base interactions energy: -347.211
where: short stacking energy: -172.274
Base-Backbone interact. energy: -0.133
local terms energy: -187.158935
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -39.271
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -53.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -521.440544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.440544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.440544 (E_RNA)
where:
Base-Base interactions energy: -346.622
where: short stacking energy: -156.018
Base-Backbone interact. energy: 1.092
local terms energy: -175.910590
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -46.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -415.343747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.343747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.343747 (E_RNA)
where:
Base-Base interactions energy: -259.687
where: short stacking energy: -128.437
Base-Backbone interact. energy: -0.683
local terms energy: -154.973013
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -34.935
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -29.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -441.612167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.612167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.612167 (E_RNA)
where:
Base-Base interactions energy: -291.736
where: short stacking energy: -140.958
Base-Backbone interact. energy: -0.816
local terms energy: -149.059496
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -38.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -333.285208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.285208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.285208 (E_RNA)
where:
Base-Base interactions energy: -194.014
where: short stacking energy: -99.634
Base-Backbone interact. energy: -1.423
local terms energy: -137.848238
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -329.066849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.066849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.066849 (E_RNA)
where:
Base-Base interactions energy: -194.561
where: short stacking energy: -100.964
Base-Backbone interact. energy: -0.587
local terms energy: -133.919023
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -317.826412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.826412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.826412 (E_RNA)
where:
Base-Base interactions energy: -188.413
where: short stacking energy: -96.471
Base-Backbone interact. energy: -0.534
local terms energy: -128.879535
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -30.253
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -164.935896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.935896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.935896 (E_RNA)
where:
Base-Base interactions energy: -62.067
where: short stacking energy: -54.417
Base-Backbone interact. energy: 1.011
local terms energy: -103.878916
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -205.628616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.628616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.628616 (E_RNA)
where:
Base-Base interactions energy: -105.628
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.422
local terms energy: -99.578671
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -26.507
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -582.627878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.627878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.627878 (E_RNA)
where:
Base-Base interactions energy: -378.133
where: short stacking energy: -188.622
Base-Backbone interact. energy: -0.055
local terms energy: -204.439948
where:
bonds (distance) C4'-P energy: -37.039
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -517.008178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.008178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.008178 (E_RNA)
where:
Base-Base interactions energy: -329.557
where: short stacking energy: -153.332
Base-Backbone interact. energy: 1.130
local terms energy: -188.581350
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -46.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -516.738803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.738803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.738803 (E_RNA)
where:
Base-Base interactions energy: -352.226
where: short stacking energy: -160.717
Base-Backbone interact. energy: 1.063
local terms energy: -165.576253
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -422.695122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.695122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.695122 (E_RNA)
where:
Base-Base interactions energy: -266.604
where: short stacking energy: -131.621
Base-Backbone interact. energy: -1.448
local terms energy: -154.643323
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -393.778741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.778741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.778741 (E_RNA)
where:
Base-Base interactions energy: -252.057
where: short stacking energy: -107.425
Base-Backbone interact. energy: -0.152
local terms energy: -141.569882
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -347.174097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.174097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.174097 (E_RNA)
where:
Base-Base interactions energy: -197.687
where: short stacking energy: -108.107
Base-Backbone interact. energy: 0.700
local terms energy: -150.187797
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -324.024420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.024420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.024420 (E_RNA)
where:
Base-Base interactions energy: -183.356
where: short stacking energy: -89.961
Base-Backbone interact. energy: 0.506
local terms energy: -141.174728
where:
bonds (distance) C4'-P energy: -34.575
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -310.570516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.570516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.570516 (E_RNA)
where:
Base-Base interactions energy: -180.823
where: short stacking energy: -90.985
Base-Backbone interact. energy: -0.599
local terms energy: -129.147866
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -232.918025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.918025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.918025 (E_RNA)
where:
Base-Base interactions energy: -127.861
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.678
local terms energy: -104.379741
where:
bonds (distance) C4'-P energy: -25.971
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -168.206547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.206547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.206547 (E_RNA)
where:
Base-Base interactions energy: -49.888
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.278
local terms energy: -118.041126
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -571.217229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.217229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.217229 (E_RNA)
where:
Base-Base interactions energy: -379.673
where: short stacking energy: -193.946
Base-Backbone interact. energy: -0.031
local terms energy: -191.513279
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -29.127
tors. eta vs tors. theta energy: -58.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -528.215306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.215306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.215306 (E_RNA)
where:
Base-Base interactions energy: -336.925
where: short stacking energy: -150.911
Base-Backbone interact. energy: -0.617
local terms energy: -190.673547
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -38.703
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -49.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -516.451525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.451525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.451525 (E_RNA)
where:
Base-Base interactions energy: -346.297
where: short stacking energy: -160.427
Base-Backbone interact. energy: -0.548
local terms energy: -169.606387
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -27.868
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -41.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -406.333372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.333372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.333372 (E_RNA)
where:
Base-Base interactions energy: -243.173
where: short stacking energy: -119.227
Base-Backbone interact. energy: -1.371
local terms energy: -161.789154
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -379.071715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.071715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.071715 (E_RNA)
where:
Base-Base interactions energy: -227.806
where: short stacking energy: -115.862
Base-Backbone interact. energy: -0.584
local terms energy: -150.681347
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -334.019356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.019356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.019356 (E_RNA)
where:
Base-Base interactions energy: -195.542
where: short stacking energy: -102.278
Base-Backbone interact. energy: -0.340
local terms energy: -138.136963
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -334.266001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.266001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.266001 (E_RNA)
where:
Base-Base interactions energy: -197.245
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.423
local terms energy: -136.597778
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -301.997147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.997147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.997147 (E_RNA)
where:
Base-Base interactions energy: -180.438
where: short stacking energy: -96.818
Base-Backbone interact. energy: -0.869
local terms energy: -120.689937
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -261.592303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.592303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.592303 (E_RNA)
where:
Base-Base interactions energy: -153.498
where: short stacking energy: -67.414
Base-Backbone interact. energy: 0.613
local terms energy: -108.707809
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -154.074902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.074902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.074902 (E_RNA)
where:
Base-Base interactions energy: -56.262
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.305
local terms energy: -97.507913
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: 0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -582.727504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.727504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.727504 (E_RNA)
where:
Base-Base interactions energy: -388.314
where: short stacking energy: -182.363
Base-Backbone interact. energy: -0.040
local terms energy: -194.374201
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -57.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -536.017414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.017414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.017414 (E_RNA)
where:
Base-Base interactions energy: -345.245
where: short stacking energy: -170.592
Base-Backbone interact. energy: -0.620
local terms energy: -190.152110
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -53.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -498.490898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.490898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.490898 (E_RNA)
where:
Base-Base interactions energy: -325.442
where: short stacking energy: -149.541
Base-Backbone interact. energy: -0.830
local terms energy: -172.218437
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -37.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -417.469170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.469170 (E_RNA)
where:
Base-Base interactions energy: -261.433
where: short stacking energy: -124.653
Base-Backbone interact. energy: -0.387
local terms energy: -155.650035
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -34.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -398.436241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.436241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.436241 (E_RNA)
where:
Base-Base interactions energy: -245.516
where: short stacking energy: -131.698
Base-Backbone interact. energy: 0.362
local terms energy: -153.281944
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -32.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -337.784884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.784884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.784884 (E_RNA)
where:
Base-Base interactions energy: -198.022
where: short stacking energy: -91.805
Base-Backbone interact. energy: -0.418
local terms energy: -139.345157
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -318.248956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.248956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.248956 (E_RNA)
where:
Base-Base interactions energy: -182.304
where: short stacking energy: -97.461
Base-Backbone interact. energy: -0.193
local terms energy: -135.751434
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -333.186109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.186109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.186109 (E_RNA)
where:
Base-Base interactions energy: -184.435
where: short stacking energy: -98.744
Base-Backbone interact. energy: 0.108
local terms energy: -148.858752
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -28.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -225.919253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.919253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.919253 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -60.920
Base-Backbone interact. energy: -1.282
local terms energy: -97.857483
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -172.789919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.789919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.789919 (E_RNA)
where:
Base-Base interactions energy: -77.361
where: short stacking energy: -70.875
Base-Backbone interact. energy: -1.090
local terms energy: -94.339180
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -589.219032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.219032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.219032 (E_RNA)
where:
Base-Base interactions energy: -385.661
where: short stacking energy: -190.386
Base-Backbone interact. energy: -0.007
local terms energy: -203.551318
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -60.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -535.459641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.459641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.459641 (E_RNA)
where:
Base-Base interactions energy: -354.022
where: short stacking energy: -163.178
Base-Backbone interact. energy: -1.793
local terms energy: -179.644351
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -40.948
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -45.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -501.943616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.943616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.943616 (E_RNA)
where:
Base-Base interactions energy: -335.556
where: short stacking energy: -155.069
Base-Backbone interact. energy: -0.199
local terms energy: -166.189039
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -447.645804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.645804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.645804 (E_RNA)
where:
Base-Base interactions energy: -281.318
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.485
local terms energy: -165.842370
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: -50.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -376.028819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.028819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.028819 (E_RNA)
where:
Base-Base interactions energy: -226.206
where: short stacking energy: -120.497
Base-Backbone interact. energy: -0.125
local terms energy: -149.697714
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -30.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -347.021101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.021101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.021101 (E_RNA)
where:
Base-Base interactions energy: -195.360
where: short stacking energy: -105.973
Base-Backbone interact. energy: -0.287
local terms energy: -151.374212
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -321.329057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.329057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.329057 (E_RNA)
where:
Base-Base interactions energy: -196.372
where: short stacking energy: -101.665
Base-Backbone interact. energy: -0.234
local terms energy: -124.722843
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -299.494728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.494728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.494728 (E_RNA)
where:
Base-Base interactions energy: -183.136
where: short stacking energy: -91.288
Base-Backbone interact. energy: -0.096
local terms energy: -116.263131
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -167.190360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.190360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.190360 (E_RNA)
where:
Base-Base interactions energy: -61.532
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.953
local terms energy: -104.705244
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: 4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -173.318761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.318761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.318761 (E_RNA)
where:
Base-Base interactions energy: -61.993
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.527
local terms energy: -110.798611
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -575.153538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.153538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.153538 (E_RNA)
where:
Base-Base interactions energy: -382.608
where: short stacking energy: -187.054
Base-Backbone interact. energy: -0.038
local terms energy: -192.507494
where:
bonds (distance) C4'-P energy: -35.423
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -59.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -527.332157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.332157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.332157 (E_RNA)
where:
Base-Base interactions energy: -342.853
where: short stacking energy: -171.683
Base-Backbone interact. energy: 2.225
local terms energy: -186.704147
where:
bonds (distance) C4'-P energy: -35.867
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -36.764
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -50.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -526.668790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.668790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.668790 (E_RNA)
where:
Base-Base interactions energy: -345.880
where: short stacking energy: -154.355
Base-Backbone interact. energy: -0.076
local terms energy: -180.712769
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -458.470373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.470373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.470373 (E_RNA)
where:
Base-Base interactions energy: -289.955
where: short stacking energy: -154.458
Base-Backbone interact. energy: -1.163
local terms energy: -167.352087
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -50.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -376.207252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.207252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.207252 (E_RNA)
where:
Base-Base interactions energy: -233.497
where: short stacking energy: -107.331
Base-Backbone interact. energy: 0.077
local terms energy: -142.786425
where:
bonds (distance) C4'-P energy: -33.373
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -32.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -327.822906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.822906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.822906 (E_RNA)
where:
Base-Base interactions energy: -190.914
where: short stacking energy: -102.914
Base-Backbone interact. energy: -0.540
local terms energy: -136.368181
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -318.740078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.740078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.740078 (E_RNA)
where:
Base-Base interactions energy: -185.224
where: short stacking energy: -97.825
Base-Backbone interact. energy: -0.118
local terms energy: -133.398071
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -310.521072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.521072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.521072 (E_RNA)
where:
Base-Base interactions energy: -174.307
where: short stacking energy: -91.046
Base-Backbone interact. energy: 0.785
local terms energy: -136.999195
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -188.342108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.342108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.342108 (E_RNA)
where:
Base-Base interactions energy: -66.823
where: short stacking energy: -52.097
Base-Backbone interact. energy: 0.173
local terms energy: -121.692538
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -148.896892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.896892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.896892 (E_RNA)
where:
Base-Base interactions energy: -52.332
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.604
local terms energy: -95.960978
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -577.987191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.987191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.987191 (E_RNA)
where:
Base-Base interactions energy: -374.515
where: short stacking energy: -191.627
Base-Backbone interact. energy: -0.054
local terms energy: -203.418516
where:
bonds (distance) C4'-P energy: -33.539
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -42.631
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -60.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -535.086480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.086480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.086480 (E_RNA)
where:
Base-Base interactions energy: -367.240
where: short stacking energy: -162.983
Base-Backbone interact. energy: -1.192
local terms energy: -166.653776
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -505.188841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.188841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.188841 (E_RNA)
where:
Base-Base interactions energy: -326.944
where: short stacking energy: -142.999
Base-Backbone interact. energy: -0.290
local terms energy: -177.955618
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -431.015933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.015933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.015933 (E_RNA)
where:
Base-Base interactions energy: -265.148
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.440
local terms energy: -165.427498
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -43.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -370.969625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.969625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.969625 (E_RNA)
where:
Base-Base interactions energy: -227.665
where: short stacking energy: -101.304
Base-Backbone interact. energy: -0.439
local terms energy: -142.866329
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -31.134
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -393.105140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.105140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.105140 (E_RNA)
where:
Base-Base interactions energy: -251.720
where: short stacking energy: -123.671
Base-Backbone interact. energy: 1.255
local terms energy: -142.640221
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -33.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -319.504620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.504620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.504620 (E_RNA)
where:
Base-Base interactions energy: -180.809
where: short stacking energy: -92.871
Base-Backbone interact. energy: -0.355
local terms energy: -138.340842
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -302.044886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.044886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.044886 (E_RNA)
where:
Base-Base interactions energy: -179.303
where: short stacking energy: -95.833
Base-Backbone interact. energy: -0.654
local terms energy: -122.087901
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -192.026032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.026032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.026032 (E_RNA)
where:
Base-Base interactions energy: -88.844
where: short stacking energy: -45.729
Base-Backbone interact. energy: -0.869
local terms energy: -102.312940
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -37.781
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -171.633043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.633043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.633043 (E_RNA)
where:
Base-Base interactions energy: -56.167
where: short stacking energy: -42.714
Base-Backbone interact. energy: 1.210
local terms energy: -116.676921
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -569.714813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.714813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.714813 (E_RNA)
where:
Base-Base interactions energy: -374.831
where: short stacking energy: -180.235
Base-Backbone interact. energy: -0.900
local terms energy: -193.984047
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -57.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -541.868882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.868882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.868882 (E_RNA)
where:
Base-Base interactions energy: -368.233
where: short stacking energy: -169.336
Base-Backbone interact. energy: -0.446
local terms energy: -173.189502
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -41.534
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -48.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -521.737157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.737157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.737157 (E_RNA)
where:
Base-Base interactions energy: -346.180
where: short stacking energy: -157.960
Base-Backbone interact. energy: -0.965
local terms energy: -174.591673
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -44.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -465.747097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.747097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.747097 (E_RNA)
where:
Base-Base interactions energy: -286.002
where: short stacking energy: -146.418
Base-Backbone interact. energy: -0.083
local terms energy: -179.661336
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -52.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -401.244890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.244890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.244890 (E_RNA)
where:
Base-Base interactions energy: -260.068
where: short stacking energy: -107.357
Base-Backbone interact. energy: -0.490
local terms energy: -140.686715
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -383.383102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.383102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.383102 (E_RNA)
where:
Base-Base interactions energy: -239.779
where: short stacking energy: -108.845
Base-Backbone interact. energy: -0.394
local terms energy: -143.209885
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -24.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -325.834822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.834822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.834822 (E_RNA)
where:
Base-Base interactions energy: -192.988
where: short stacking energy: -95.488
Base-Backbone interact. energy: -0.782
local terms energy: -132.063993
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -259.325210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.325210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.325210 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -75.428
Base-Backbone interact. energy: -0.414
local terms energy: -121.315899
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -225.501504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501504 (E_RNA)
where:
Base-Base interactions energy: -108.348
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.224
local terms energy: -116.929312
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -146.914735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.914735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.914735 (E_RNA)
where:
Base-Base interactions energy: -56.166
where: short stacking energy: -54.344
Base-Backbone interact. energy: 0.056
local terms energy: -90.804573
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -578.101647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.101647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.101647 (E_RNA)
where:
Base-Base interactions energy: -388.271
where: short stacking energy: -187.680
Base-Backbone interact. energy: -0.618
local terms energy: -189.212307
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -24.913
tors. eta vs tors. theta energy: -60.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -520.013292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.013292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.013292 (E_RNA)
where:
Base-Base interactions energy: -364.140
where: short stacking energy: -157.936
Base-Backbone interact. energy: -0.769
local terms energy: -155.104326
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -37.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -504.639475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.639475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.639475 (E_RNA)
where:
Base-Base interactions energy: -334.910
where: short stacking energy: -162.381
Base-Backbone interact. energy: -0.232
local terms energy: -169.497518
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -38.649
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -461.545344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.545344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.545344 (E_RNA)
where:
Base-Base interactions energy: -294.280
where: short stacking energy: -146.605
Base-Backbone interact. energy: -0.159
local terms energy: -167.105848
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -40.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -396.836406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.836406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.836406 (E_RNA)
where:
Base-Base interactions energy: -257.731
where: short stacking energy: -116.070
Base-Backbone interact. energy: -1.000
local terms energy: -138.105613
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -328.373145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.373145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.373145 (E_RNA)
where:
Base-Base interactions energy: -188.605
where: short stacking energy: -107.788
Base-Backbone interact. energy: -0.370
local terms energy: -139.398545
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -379.589497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.589497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.589497 (E_RNA)
where:
Base-Base interactions energy: -224.644
where: short stacking energy: -102.175
Base-Backbone interact. energy: 0.400
local terms energy: -155.346055
where:
bonds (distance) C4'-P energy: -35.508
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -272.268336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.268336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.268336 (E_RNA)
where:
Base-Base interactions energy: -163.554
where: short stacking energy: -94.882
Base-Backbone interact. energy: 1.112
local terms energy: -109.826512
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -217.529032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.529032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.529032 (E_RNA)
where:
Base-Base interactions energy: -110.491
where: short stacking energy: -72.646
Base-Backbone interact. energy: -0.329
local terms energy: -106.708822
where:
bonds (distance) C4'-P energy: -31.578
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -145.642325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.642325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.642325 (E_RNA)
where:
Base-Base interactions energy: -48.228
where: short stacking energy: -45.277
Base-Backbone interact. energy: 0.588
local terms energy: -98.002757
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: 2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -578.642105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.642105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.642105 (E_RNA)
where:
Base-Base interactions energy: -378.041
where: short stacking energy: -190.170
Base-Backbone interact. energy: -0.010
local terms energy: -200.590859
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -37.085
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -62.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -533.826540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.826540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.826540 (E_RNA)
where:
Base-Base interactions energy: -352.098
where: short stacking energy: -163.305
Base-Backbone interact. energy: 0.574
local terms energy: -182.302464
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -535.917772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.917772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.917772 (E_RNA)
where:
Base-Base interactions energy: -357.552
where: short stacking energy: -169.906
Base-Backbone interact. energy: -1.021
local terms energy: -177.344441
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -461.277357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.277357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.277357 (E_RNA)
where:
Base-Base interactions energy: -297.191
where: short stacking energy: -149.854
Base-Backbone interact. energy: 1.893
local terms energy: -165.979728
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -39.550
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -396.292257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.292257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.292257 (E_RNA)
where:
Base-Base interactions energy: -248.472
where: short stacking energy: -115.844
Base-Backbone interact. energy: 0.050
local terms energy: -147.870142
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -340.213043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.213043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.213043 (E_RNA)
where:
Base-Base interactions energy: -194.897
where: short stacking energy: -94.403
Base-Backbone interact. energy: -1.676
local terms energy: -143.640064
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -359.918218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.918218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.918218 (E_RNA)
where:
Base-Base interactions energy: -233.479
where: short stacking energy: -110.837
Base-Backbone interact. energy: 0.642
local terms energy: -127.081932
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -303.803253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.803253 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -98.282
Base-Backbone interact. energy: 2.409
local terms energy: -128.399831
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -245.286475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.286475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.286475 (E_RNA)
where:
Base-Base interactions energy: -137.278
where: short stacking energy: -75.612
Base-Backbone interact. energy: -0.822
local terms energy: -107.186367
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -157.474866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.474866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.474866 (E_RNA)
where:
Base-Base interactions energy: -51.278
where: short stacking energy: -39.983
Base-Backbone interact. energy: -1.199
local terms energy: -104.998316
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -578.063742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.063742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.063742 (E_RNA)
where:
Base-Base interactions energy: -371.153
where: short stacking energy: -189.211
Base-Backbone interact. energy: -0.031
local terms energy: -206.880274
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -38.501
flat angles C4'-P-C4' energy: -41.727
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -58.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -519.907191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.907191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.907191 (E_RNA)
where:
Base-Base interactions energy: -335.631
where: short stacking energy: -168.455
Base-Backbone interact. energy: -0.053
local terms energy: -184.223890
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -47.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -514.553471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.553471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.553471 (E_RNA)
where:
Base-Base interactions energy: -346.962
where: short stacking energy: -166.803
Base-Backbone interact. energy: -0.316
local terms energy: -167.276140
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -45.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -427.708138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.708138 (E_RNA)
where:
Base-Base interactions energy: -266.857
where: short stacking energy: -119.462
Base-Backbone interact. energy: -0.673
local terms energy: -160.177916
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -461.401857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.401857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.401857 (E_RNA)
where:
Base-Base interactions energy: -300.768
where: short stacking energy: -142.143
Base-Backbone interact. energy: -0.149
local terms energy: -160.484986
where:
bonds (distance) C4'-P energy: -35.284
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -40.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -391.365009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.365009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.365009 (E_RNA)
where:
Base-Base interactions energy: -239.563
where: short stacking energy: -113.883
Base-Backbone interact. energy: 0.493
local terms energy: -152.295028
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -321.618858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.618858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.618858 (E_RNA)
where:
Base-Base interactions energy: -193.408
where: short stacking energy: -96.255
Base-Backbone interact. energy: -0.285
local terms energy: -127.926334
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -308.842127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.842127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.842127 (E_RNA)
where:
Base-Base interactions energy: -198.178
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.257
local terms energy: -110.407495
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -181.512648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512648 (E_RNA)
where:
Base-Base interactions energy: -87.905
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.249
local terms energy: -93.358347
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: 2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -149.676913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.676913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.676913 (E_RNA)
where:
Base-Base interactions energy: -59.944
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.214
local terms energy: -89.518472
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -568.572631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.572631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.572631 (E_RNA)
where:
Base-Base interactions energy: -373.479
where: short stacking energy: -181.731
Base-Backbone interact. energy: -0.040
local terms energy: -195.053493
where:
bonds (distance) C4'-P energy: -38.594
bonds (distance) P-C4' energy: -34.990
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -51.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -533.893994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.893994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.893994 (E_RNA)
where:
Base-Base interactions energy: -352.255
where: short stacking energy: -160.676
Base-Backbone interact. energy: 0.371
local terms energy: -182.009348
where:
bonds (distance) C4'-P energy: -33.733
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -39.026
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -48.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -537.517013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.517013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.517013 (E_RNA)
where:
Base-Base interactions energy: -359.797
where: short stacking energy: -160.677
Base-Backbone interact. energy: -0.760
local terms energy: -176.959713
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -42.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -420.406708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.406708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.406708 (E_RNA)
where:
Base-Base interactions energy: -258.674
where: short stacking energy: -113.879
Base-Backbone interact. energy: 0.099
local terms energy: -161.832281
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -34.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -447.101719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.101719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.101719 (E_RNA)
where:
Base-Base interactions energy: -284.073
where: short stacking energy: -135.055
Base-Backbone interact. energy: -0.404
local terms energy: -162.624543
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -43.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -389.904596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.904596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.904596 (E_RNA)
where:
Base-Base interactions energy: -242.583
where: short stacking energy: -119.195
Base-Backbone interact. energy: -0.385
local terms energy: -146.935895
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -31.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -308.929563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.929563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.929563 (E_RNA)
where:
Base-Base interactions energy: -180.599
where: short stacking energy: -89.939
Base-Backbone interact. energy: 1.048
local terms energy: -129.378829
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -313.214449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.214449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.214449 (E_RNA)
where:
Base-Base interactions energy: -182.035
where: short stacking energy: -91.698
Base-Backbone interact. energy: -0.410
local terms energy: -130.769724
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -166.338727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.338727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.338727 (E_RNA)
where:
Base-Base interactions energy: -60.860
where: short stacking energy: -56.592
Base-Backbone interact. energy: -1.738
local terms energy: -103.740718
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -146.216274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.216274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.216274 (E_RNA)
where:
Base-Base interactions energy: -49.664
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.995
local terms energy: -95.557069
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: 4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -564.831855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.831855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.831855 (E_RNA)
where:
Base-Base interactions energy: -370.911
where: short stacking energy: -185.824
Base-Backbone interact. energy: 0.837
local terms energy: -194.758331
where:
bonds (distance) C4'-P energy: -40.430
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -62.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -525.848731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.848731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.848731 (E_RNA)
where:
Base-Base interactions energy: -334.209
where: short stacking energy: -154.240
Base-Backbone interact. energy: -0.096
local terms energy: -191.543865
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -45.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -510.176862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.176862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.176862 (E_RNA)
where:
Base-Base interactions energy: -346.264
where: short stacking energy: -151.301
Base-Backbone interact. energy: -0.089
local terms energy: -163.824627
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -411.418935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.418935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.418935 (E_RNA)
where:
Base-Base interactions energy: -247.930
where: short stacking energy: -122.904
Base-Backbone interact. energy: -0.581
local terms energy: -162.908178
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: -33.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -460.026994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.026994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.026994 (E_RNA)
where:
Base-Base interactions energy: -289.934
where: short stacking energy: -139.142
Base-Backbone interact. energy: -0.043
local terms energy: -170.049447
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -47.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -383.784019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.784019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.784019 (E_RNA)
where:
Base-Base interactions energy: -240.726
where: short stacking energy: -132.462
Base-Backbone interact. energy: -0.024
local terms energy: -143.033468
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -328.558500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.558500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.558500 (E_RNA)
where:
Base-Base interactions energy: -193.115
where: short stacking energy: -104.448
Base-Backbone interact. energy: -0.474
local terms energy: -134.969335
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -306.058715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.058715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.058715 (E_RNA)
where:
Base-Base interactions energy: -183.321
where: short stacking energy: -97.552
Base-Backbone interact. energy: -0.125
local terms energy: -122.612558
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -164.453277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.453277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.453277 (E_RNA)
where:
Base-Base interactions energy: -64.474
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.712
local terms energy: -99.267501
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -165.098052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.098052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.098052 (E_RNA)
where:
Base-Base interactions energy: -61.045
where: short stacking energy: -55.353
Base-Backbone interact. energy: -0.015
local terms energy: -104.038147
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -552.331558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.331558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.331558 (E_RNA)
where:
Base-Base interactions energy: -355.996
where: short stacking energy: -168.436
Base-Backbone interact. energy: -0.493
local terms energy: -195.842723
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -41.663
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: -57.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -532.943385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.943385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.943385 (E_RNA)
where:
Base-Base interactions energy: -351.462
where: short stacking energy: -148.839
Base-Backbone interact. energy: 3.689
local terms energy: -185.170287
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -36.675
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -500.895236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.895236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.895236 (E_RNA)
where:
Base-Base interactions energy: -344.192
where: short stacking energy: -148.614
Base-Backbone interact. energy: -0.523
local terms energy: -156.180238
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -37.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -415.696072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.696072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.696072 (E_RNA)
where:
Base-Base interactions energy: -272.467
where: short stacking energy: -122.059
Base-Backbone interact. energy: 1.041
local terms energy: -144.270522
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -450.856607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.856607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.856607 (E_RNA)
where:
Base-Base interactions energy: -286.271
where: short stacking energy: -152.169
Base-Backbone interact. energy: -1.781
local terms energy: -162.805025
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -41.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -394.595333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.595333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.595333 (E_RNA)
where:
Base-Base interactions energy: -242.048
where: short stacking energy: -114.935
Base-Backbone interact. energy: -0.828
local terms energy: -151.719333
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -34.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -329.470049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.470049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.470049 (E_RNA)
where:
Base-Base interactions energy: -187.813
where: short stacking energy: -95.288
Base-Backbone interact. energy: -0.453
local terms energy: -141.203297
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -330.872138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.872138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.872138 (E_RNA)
where:
Base-Base interactions energy: -184.625
where: short stacking energy: -82.920
Base-Backbone interact. energy: -1.997
local terms energy: -144.250965
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -169.653695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.653695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.653695 (E_RNA)
where:
Base-Base interactions energy: -63.444
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.467
local terms energy: -105.742828
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -33.980
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -151.769818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.769818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.769818 (E_RNA)
where:
Base-Base interactions energy: -52.644
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.678
local terms energy: -98.447772
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: 10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -584.837935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.837935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.837935 (E_RNA)
where:
Base-Base interactions energy: -374.873
where: short stacking energy: -194.823
Base-Backbone interact. energy: -0.093
local terms energy: -209.871692
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -64.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -526.950722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.950722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.950722 (E_RNA)
where:
Base-Base interactions energy: -339.192
where: short stacking energy: -153.639
Base-Backbone interact. energy: -0.152
local terms energy: -187.607284
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -45.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -519.507953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.507953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.507953 (E_RNA)
where:
Base-Base interactions energy: -345.935
where: short stacking energy: -157.907
Base-Backbone interact. energy: -0.751
local terms energy: -172.821307
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: -42.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -460.348833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.348833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.348833 (E_RNA)
where:
Base-Base interactions energy: -290.809
where: short stacking energy: -150.344
Base-Backbone interact. energy: -0.040
local terms energy: -169.499248
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -41.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -402.849296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.849296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.849296 (E_RNA)
where:
Base-Base interactions energy: -270.124
where: short stacking energy: -127.845
Base-Backbone interact. energy: 4.305
local terms energy: -137.029915
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -395.482700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.482700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.482700 (E_RNA)
where:
Base-Base interactions energy: -245.667
where: short stacking energy: -114.084
Base-Backbone interact. energy: -0.538
local terms energy: -149.277601
where:
bonds (distance) C4'-P energy: -33.373
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -327.852330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.852330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.852330 (E_RNA)
where:
Base-Base interactions energy: -185.272
where: short stacking energy: -99.893
Base-Backbone interact. energy: 0.421
local terms energy: -143.001854
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -313.693309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.693309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.693309 (E_RNA)
where:
Base-Base interactions energy: -192.208
where: short stacking energy: -98.390
Base-Backbone interact. energy: -1.114
local terms energy: -120.371108
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -167.330573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.330573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.330573 (E_RNA)
where:
Base-Base interactions energy: -70.463
where: short stacking energy: -44.303
Base-Backbone interact. energy: 0.026
local terms energy: -96.893965
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: 4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -164.678600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.678600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.678600 (E_RNA)
where:
Base-Base interactions energy: -76.645
where: short stacking energy: -56.739
Base-Backbone interact. energy: 1.604
local terms energy: -89.637333
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -572.593132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.593132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.593132 (E_RNA)
where:
Base-Base interactions energy: -389.326
where: short stacking energy: -184.358
Base-Backbone interact. energy: -0.088
local terms energy: -183.178904
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -60.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -527.317431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.317431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.317431 (E_RNA)
where:
Base-Base interactions energy: -353.032
where: short stacking energy: -165.803
Base-Backbone interact. energy: -0.292
local terms energy: -173.993571
where:
bonds (distance) C4'-P energy: -30.666
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -510.718116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.718116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.718116 (E_RNA)
where:
Base-Base interactions energy: -341.246
where: short stacking energy: -147.797
Base-Backbone interact. energy: 1.517
local terms energy: -170.989096
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -30.465
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -446.517643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.517643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.517643 (E_RNA)
where:
Base-Base interactions energy: -290.349
where: short stacking energy: -134.646
Base-Backbone interact. energy: -0.169
local terms energy: -155.999693
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -415.457230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.457230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.457230 (E_RNA)
where:
Base-Base interactions energy: -258.355
where: short stacking energy: -127.144
Base-Backbone interact. energy: -0.445
local terms energy: -156.656839
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -41.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -369.754246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.754246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.754246 (E_RNA)
where:
Base-Base interactions energy: -234.436
where: short stacking energy: -106.770
Base-Backbone interact. energy: 0.820
local terms energy: -136.138220
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -344.520643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.520643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.520643 (E_RNA)
where:
Base-Base interactions energy: -211.423
where: short stacking energy: -100.455
Base-Backbone interact. energy: -0.503
local terms energy: -132.594904
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -24.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -321.952115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.952115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.952115 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -97.552
Base-Backbone interact. energy: 0.239
local terms energy: -146.211707
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -28.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -170.847266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.847266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.847266 (E_RNA)
where:
Base-Base interactions energy: -61.540
where: short stacking energy: -52.688
Base-Backbone interact. energy: 0.740
local terms energy: -110.047305
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: 2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -159.869327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.869327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.869327 (E_RNA)
where:
Base-Base interactions energy: -55.923
where: short stacking energy: -50.944
Base-Backbone interact. energy: 1.298
local terms energy: -105.245030
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -36.538
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -590.621965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.621965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.621965 (E_RNA)
where:
Base-Base interactions energy: -392.561
where: short stacking energy: -196.543
Base-Backbone interact. energy: -0.132
local terms energy: -197.928814
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -39.717
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -60.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -517.818029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.818029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.818029 (E_RNA)
where:
Base-Base interactions energy: -339.257
where: short stacking energy: -152.943
Base-Backbone interact. energy: -0.677
local terms energy: -177.883464
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -43.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -528.801605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.801605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.801605 (E_RNA)
where:
Base-Base interactions energy: -342.847
where: short stacking energy: -162.343
Base-Backbone interact. energy: 1.124
local terms energy: -187.079053
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -38.903
flat angles P-C4'-P energy: -30.173
tors. eta vs tors. theta energy: -50.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -431.603554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.603554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.603554 (E_RNA)
where:
Base-Base interactions energy: -260.824
where: short stacking energy: -131.645
Base-Backbone interact. energy: -0.464
local terms energy: -170.315794
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -416.913582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.913582 (E_RNA)
where:
Base-Base interactions energy: -260.037
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.238
local terms energy: -156.638900
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -36.745
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -37.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -395.337193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.337193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.337193 (E_RNA)
where:
Base-Base interactions energy: -256.899
where: short stacking energy: -114.312
Base-Backbone interact. energy: 1.476
local terms energy: -139.914181
where:
bonds (distance) C4'-P energy: -27.738
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -34.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -323.540516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.540516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.540516 (E_RNA)
where:
Base-Base interactions energy: -182.992
where: short stacking energy: -83.721
Base-Backbone interact. energy: -0.682
local terms energy: -139.866973
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -33.641
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -310.371801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.371801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.371801 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.458
local terms energy: -127.938978
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -189.168126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.168126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.168126 (E_RNA)
where:
Base-Base interactions energy: -79.710
where: short stacking energy: -72.182
Base-Backbone interact. energy: 1.866
local terms energy: -111.323652
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -153.981853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.981853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.981853 (E_RNA)
where:
Base-Base interactions energy: -44.088
where: short stacking energy: -32.501
Base-Backbone interact. energy: -1.339
local terms energy: -108.554832
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: 8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -581.623243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.623243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.623243 (E_RNA)
where:
Base-Base interactions energy: -376.205
where: short stacking energy: -188.110
Base-Backbone interact. energy: -0.009
local terms energy: -205.408899
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -63.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -522.366002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.366002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.366002 (E_RNA)
where:
Base-Base interactions energy: -354.721
where: short stacking energy: -156.150
Base-Backbone interact. energy: -2.335
local terms energy: -165.310446
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -509.636874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.636874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.636874 (E_RNA)
where:
Base-Base interactions energy: -328.633
where: short stacking energy: -157.407
Base-Backbone interact. energy: -0.130
local terms energy: -180.874050
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -46.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -421.632766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.632766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.632766 (E_RNA)
where:
Base-Base interactions energy: -271.613
where: short stacking energy: -135.427
Base-Backbone interact. energy: -0.518
local terms energy: -149.501652
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -41.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -403.003366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.003366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.003366 (E_RNA)
where:
Base-Base interactions energy: -249.381
where: short stacking energy: -122.836
Base-Backbone interact. energy: -0.534
local terms energy: -153.087911
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -29.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -403.192566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.192566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.192566 (E_RNA)
where:
Base-Base interactions energy: -251.696
where: short stacking energy: -109.610
Base-Backbone interact. energy: -0.304
local terms energy: -151.192353
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -35.370
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -330.238034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.238034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.238034 (E_RNA)
where:
Base-Base interactions energy: -179.767
where: short stacking energy: -94.975
Base-Backbone interact. energy: 0.349
local terms energy: -150.820129
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -315.151247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.151247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.151247 (E_RNA)
where:
Base-Base interactions energy: -176.552
where: short stacking energy: -87.961
Base-Backbone interact. energy: 0.893
local terms energy: -139.492831
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -194.792553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.792553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.792553 (E_RNA)
where:
Base-Base interactions energy: -63.992
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.311
local terms energy: -130.489523
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -151.704584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.704584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.704584 (E_RNA)
where:
Base-Base interactions energy: -46.248
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.349
local terms energy: -105.108054
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -578.556532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.556532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.556532 (E_RNA)
where:
Base-Base interactions energy: -383.756
where: short stacking energy: -185.143
Base-Backbone interact. energy: -0.013
local terms energy: -194.787435
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -39.145
flat angles P-C4'-P energy: -31.689
tors. eta vs tors. theta energy: -58.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -542.393254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.393254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.393254 (E_RNA)
where:
Base-Base interactions energy: -365.269
where: short stacking energy: -172.582
Base-Backbone interact. energy: -0.028
local terms energy: -177.095728
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -50.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -512.552112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.552112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.552112 (E_RNA)
where:
Base-Base interactions energy: -336.433
where: short stacking energy: -145.292
Base-Backbone interact. energy: -0.751
local terms energy: -175.367661
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -44.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -458.344664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.344664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.344664 (E_RNA)
where:
Base-Base interactions energy: -289.813
where: short stacking energy: -133.182
Base-Backbone interact. energy: 4.641
local terms energy: -173.172730
where:
bonds (distance) C4'-P energy: -35.261
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -41.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -418.492440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.492440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.492440 (E_RNA)
where:
Base-Base interactions energy: -252.057
where: short stacking energy: -124.961
Base-Backbone interact. energy: -0.026
local terms energy: -166.410017
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -40.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -384.085027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.085027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.085027 (E_RNA)
where:
Base-Base interactions energy: -241.537
where: short stacking energy: -116.447
Base-Backbone interact. energy: -0.529
local terms energy: -142.018820
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -323.303627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.303627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.303627 (E_RNA)
where:
Base-Base interactions energy: -191.181
where: short stacking energy: -105.036
Base-Backbone interact. energy: -0.368
local terms energy: -131.754624
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -308.835259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.835259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.835259 (E_RNA)
where:
Base-Base interactions energy: -172.578
where: short stacking energy: -84.338
Base-Backbone interact. energy: -1.157
local terms energy: -135.100008
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -161.463600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.463600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.463600 (E_RNA)
where:
Base-Base interactions energy: -55.869
where: short stacking energy: -53.799
Base-Backbone interact. energy: 0.910
local terms energy: -106.504787
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: 4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -171.983485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.983485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.983485 (E_RNA)
where:
Base-Base interactions energy: -77.389
where: short stacking energy: -62.190
Base-Backbone interact. energy: 1.759
local terms energy: -96.354029
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -583.661982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.661982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.661982 (E_RNA)
where:
Base-Base interactions energy: -380.285
where: short stacking energy: -178.305
Base-Backbone interact. energy: -0.035
local terms energy: -203.342356
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -38.797
flat angles C4'-P-C4' energy: -42.702
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -60.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -541.705096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.705096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.705096 (E_RNA)
where:
Base-Base interactions energy: -355.139
where: short stacking energy: -158.424
Base-Backbone interact. energy: -0.882
local terms energy: -185.683639
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -30.897
tors. eta vs tors. theta energy: -44.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -481.564931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.564931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.564931 (E_RNA)
where:
Base-Base interactions energy: -311.267
where: short stacking energy: -144.598
Base-Backbone interact. energy: 0.082
local terms energy: -170.379733
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -491.798103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.798103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.798103 (E_RNA)
where:
Base-Base interactions energy: -322.954
where: short stacking energy: -145.600
Base-Backbone interact. energy: -2.212
local terms energy: -166.632136
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -41.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -415.576743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.576743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.576743 (E_RNA)
where:
Base-Base interactions energy: -260.874
where: short stacking energy: -131.509
Base-Backbone interact. energy: -0.021
local terms energy: -154.681944
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -36.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -388.438668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.438668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.438668 (E_RNA)
where:
Base-Base interactions energy: -248.351
where: short stacking energy: -121.748
Base-Backbone interact. energy: -0.473
local terms energy: -139.614897
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -308.796953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.796953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.796953 (E_RNA)
where:
Base-Base interactions energy: -180.452
where: short stacking energy: -86.987
Base-Backbone interact. energy: 0.124
local terms energy: -128.468705
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -324.326192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.326192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.326192 (E_RNA)
where:
Base-Base interactions energy: -196.437
where: short stacking energy: -89.444
Base-Backbone interact. energy: -1.026
local terms energy: -126.862626
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -159.070900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.070900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.070900 (E_RNA)
where:
Base-Base interactions energy: -47.970
where: short stacking energy: -44.860
Base-Backbone interact. energy: 0.946
local terms energy: -112.046615
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -171.469150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.469150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.469150 (E_RNA)
where:
Base-Base interactions energy: -67.256
where: short stacking energy: -60.217
Base-Backbone interact. energy: 2.638
local terms energy: -106.850346
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -33.722
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -572.890138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.890138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.890138 (E_RNA)
where:
Base-Base interactions energy: -373.657
where: short stacking energy: -183.674
Base-Backbone interact. energy: 1.724
local terms energy: -200.956393
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -32.043
tors. eta vs tors. theta energy: -59.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -529.837080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.837080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.837080 (E_RNA)
where:
Base-Base interactions energy: -347.931
where: short stacking energy: -157.133
Base-Backbone interact. energy: 1.764
local terms energy: -183.670520
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -36.897
flat angles C4'-P-C4' energy: -40.642
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -47.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -480.128593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.128593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.128593 (E_RNA)
where:
Base-Base interactions energy: -309.011
where: short stacking energy: -156.654
Base-Backbone interact. energy: -0.119
local terms energy: -170.998960
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -43.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -488.135980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.135980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.135980 (E_RNA)
where:
Base-Base interactions energy: -321.829
where: short stacking energy: -146.883
Base-Backbone interact. energy: -0.227
local terms energy: -166.079587
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -41.363
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -39.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -412.276690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.276690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.276690 (E_RNA)
where:
Base-Base interactions energy: -250.664
where: short stacking energy: -118.401
Base-Backbone interact. energy: -2.254
local terms energy: -159.358064
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -33.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -323.689591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.689591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.689591 (E_RNA)
where:
Base-Base interactions energy: -174.807
where: short stacking energy: -100.997
Base-Backbone interact. energy: -0.205
local terms energy: -148.677988
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -33.626
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -373.792116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.792116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.792116 (E_RNA)
where:
Base-Base interactions energy: -238.695
where: short stacking energy: -104.985
Base-Backbone interact. energy: -1.073
local terms energy: -134.024169
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -326.885407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.885407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.885407 (E_RNA)
where:
Base-Base interactions energy: -187.046
where: short stacking energy: -92.458
Base-Backbone interact. energy: 1.083
local terms energy: -140.922272
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -38.049
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -163.823104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.823104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.823104 (E_RNA)
where:
Base-Base interactions energy: -60.700
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.410
local terms energy: -102.713668
where:
bonds (distance) C4'-P energy: -34.526
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -168.820490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.820490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.820490 (E_RNA)
where:
Base-Base interactions energy: -63.015
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.292
local terms energy: -105.513731
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -579.413273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.413273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.413273 (E_RNA)
where:
Base-Base interactions energy: -378.579
where: short stacking energy: -190.699
Base-Backbone interact. energy: -0.006
local terms energy: -200.828131
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -60.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -530.009852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.009852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.009852 (E_RNA)
where:
Base-Base interactions energy: -342.550
where: short stacking energy: -164.728
Base-Backbone interact. energy: -0.816
local terms energy: -186.643355
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -40.045
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -52.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -510.253579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.253579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.253579 (E_RNA)
where:
Base-Base interactions energy: -343.466
where: short stacking energy: -156.240
Base-Backbone interact. energy: -1.711
local terms energy: -165.076470
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -37.519
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -46.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -478.032784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.032784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.032784 (E_RNA)
where:
Base-Base interactions energy: -307.092
where: short stacking energy: -156.531
Base-Backbone interact. energy: 0.018
local terms energy: -170.958624
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -45.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -405.241056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.241056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.241056 (E_RNA)
where:
Base-Base interactions energy: -250.714
where: short stacking energy: -133.996
Base-Backbone interact. energy: -0.071
local terms energy: -154.456350
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -40.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -314.233394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.233394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.233394 (E_RNA)
where:
Base-Base interactions energy: -176.078
where: short stacking energy: -95.676
Base-Backbone interact. energy: -1.468
local terms energy: -136.687316
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -354.229786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.229786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.229786 (E_RNA)
where:
Base-Base interactions energy: -215.710
where: short stacking energy: -92.005
Base-Backbone interact. energy: -0.419
local terms energy: -138.101321
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -330.478590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.478590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.478590 (E_RNA)
where:
Base-Base interactions energy: -198.481
where: short stacking energy: -100.692
Base-Backbone interact. energy: -0.787
local terms energy: -131.209766
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -177.881239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.881239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.881239 (E_RNA)
where:
Base-Base interactions energy: -60.487
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.140
local terms energy: -117.254092
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -165.726852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726852 (E_RNA)
where:
Base-Base interactions energy: -63.918
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.128
local terms energy: -101.681363
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -577.806887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.806887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.806887 (E_RNA)
where:
Base-Base interactions energy: -384.898
where: short stacking energy: -191.342
Base-Backbone interact. energy: -0.008
local terms energy: -192.900758
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -60.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -546.824154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.824154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.824154 (E_RNA)
where:
Base-Base interactions energy: -382.091
where: short stacking energy: -173.005
Base-Backbone interact. energy: 0.599
local terms energy: -165.332984
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -43.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -518.259332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.259332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.259332 (E_RNA)
where:
Base-Base interactions energy: -336.517
where: short stacking energy: -154.788
Base-Backbone interact. energy: -0.926
local terms energy: -180.816295
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -31.973
flat angles C4'-P-C4' energy: -40.052
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -48.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -415.554238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.554238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.554238 (E_RNA)
where:
Base-Base interactions energy: -256.650
where: short stacking energy: -124.839
Base-Backbone interact. energy: -0.338
local terms energy: -158.565904
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -30.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -459.377934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.377934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.377934 (E_RNA)
where:
Base-Base interactions energy: -293.646
where: short stacking energy: -142.735
Base-Backbone interact. energy: -0.099
local terms energy: -165.632156
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -39.717
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -46.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -377.881229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.881229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.881229 (E_RNA)
where:
Base-Base interactions energy: -234.877
where: short stacking energy: -103.816
Base-Backbone interact. energy: -1.353
local terms energy: -141.651898
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -28.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -298.178520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.178520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.178520 (E_RNA)
where:
Base-Base interactions energy: -185.641
where: short stacking energy: -83.466
Base-Backbone interact. energy: -2.316
local terms energy: -110.221521
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -325.291641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.291641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.291641 (E_RNA)
where:
Base-Base interactions energy: -203.535
where: short stacking energy: -96.477
Base-Backbone interact. energy: 0.649
local terms energy: -122.406485
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -169.090013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.090013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.090013 (E_RNA)
where:
Base-Base interactions energy: -56.950
where: short stacking energy: -41.728
Base-Backbone interact. energy: -1.126
local terms energy: -111.013867
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -153.538353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.538353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.538353 (E_RNA)
where:
Base-Base interactions energy: -45.822
where: short stacking energy: -41.509
Base-Backbone interact. energy: 5.576
local terms energy: -113.292004
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -575.438892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.438892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.438892 (E_RNA)
where:
Base-Base interactions energy: -379.843
where: short stacking energy: -194.225
Base-Backbone interact. energy: -0.019
local terms energy: -195.577129
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -58.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -527.713348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.713348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.713348 (E_RNA)
where:
Base-Base interactions energy: -343.323
where: short stacking energy: -165.524
Base-Backbone interact. energy: 0.251
local terms energy: -184.641848
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -46.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -523.781146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.781146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.781146 (E_RNA)
where:
Base-Base interactions energy: -339.937
where: short stacking energy: -145.841
Base-Backbone interact. energy: -0.234
local terms energy: -183.609403
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -41.890
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -49.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -434.622228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.622228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.622228 (E_RNA)
where:
Base-Base interactions energy: -264.336
where: short stacking energy: -141.801
Base-Backbone interact. energy: -0.318
local terms energy: -169.968575
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -39.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -450.889041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.889041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.889041 (E_RNA)
where:
Base-Base interactions energy: -288.754
where: short stacking energy: -143.663
Base-Backbone interact. energy: -0.113
local terms energy: -162.022146
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -43.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -393.494660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.494660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.494660 (E_RNA)
where:
Base-Base interactions energy: -244.581
where: short stacking energy: -107.353
Base-Backbone interact. energy: -0.124
local terms energy: -148.789506
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -317.377360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.377360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.377360 (E_RNA)
where:
Base-Base interactions energy: -197.311
where: short stacking energy: -90.075
Base-Backbone interact. energy: -0.407
local terms energy: -119.658849
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -39.695
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -300.905216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.905216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.905216 (E_RNA)
where:
Base-Base interactions energy: -175.700
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.459
local terms energy: -124.746512
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -170.586869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.586869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.586869 (E_RNA)
where:
Base-Base interactions energy: -62.226
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.377
local terms energy: -107.984215
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -146.906325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.906325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.906325 (E_RNA)
where:
Base-Base interactions energy: -53.419
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.484
local terms energy: -93.003702
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: 9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -571.538111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.538111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.538111 (E_RNA)
where:
Base-Base interactions energy: -385.390
where: short stacking energy: -187.433
Base-Backbone interact. energy: 1.273
local terms energy: -187.420640
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -58.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -525.366325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.366325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.366325 (E_RNA)
where:
Base-Base interactions energy: -330.459
where: short stacking energy: -160.962
Base-Backbone interact. energy: -0.419
local terms energy: -194.488453
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -40.717
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -50.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -510.435371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.435371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.435371 (E_RNA)
where:
Base-Base interactions energy: -335.507
where: short stacking energy: -163.536
Base-Backbone interact. energy: -0.557
local terms energy: -174.370999
where:
bonds (distance) C4'-P energy: -37.274
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -46.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -444.411697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.411697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.411697 (E_RNA)
where:
Base-Base interactions energy: -277.891
where: short stacking energy: -156.985
Base-Backbone interact. energy: -1.446
local terms energy: -165.074637
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -41.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -418.414707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.414707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.414707 (E_RNA)
where:
Base-Base interactions energy: -252.979
where: short stacking energy: -128.540
Base-Backbone interact. energy: -0.169
local terms energy: -165.266794
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -44.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -333.301986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.301986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.301986 (E_RNA)
where:
Base-Base interactions energy: -197.996
where: short stacking energy: -98.765
Base-Backbone interact. energy: 0.600
local terms energy: -135.905759
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -382.124631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.124631 (E_RNA)
where:
Base-Base interactions energy: -249.714
where: short stacking energy: -108.682
Base-Backbone interact. energy: 0.596
local terms energy: -133.006495
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -301.510699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.510699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.510699 (E_RNA)
where:
Base-Base interactions energy: -163.355
where: short stacking energy: -99.145
Base-Backbone interact. energy: -0.583
local terms energy: -137.573214
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -40.205
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -179.091000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.091000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.091000 (E_RNA)
where:
Base-Base interactions energy: -63.193
where: short stacking energy: -59.170
Base-Backbone interact. energy: 0.582
local terms energy: -116.480013
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -162.181861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.181861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.181861 (E_RNA)
where:
Base-Base interactions energy: -69.539
where: short stacking energy: -58.119
Base-Backbone interact. energy: 2.589
local terms energy: -95.232220
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -573.298789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.298789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.298789 (E_RNA)
where:
Base-Base interactions energy: -379.128
where: short stacking energy: -187.117
Base-Backbone interact. energy: 0.561
local terms energy: -194.731408
where:
bonds (distance) C4'-P energy: -31.346
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -59.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -542.331698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.331698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.331698 (E_RNA)
where:
Base-Base interactions energy: -351.953
where: short stacking energy: -162.268
Base-Backbone interact. energy: -1.156
local terms energy: -189.222609
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -52.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -523.427082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.427082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.427082 (E_RNA)
where:
Base-Base interactions energy: -348.937
where: short stacking energy: -156.834
Base-Backbone interact. energy: -0.070
local terms energy: -174.419913
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -48.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -474.408218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.408218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.408218 (E_RNA)
where:
Base-Base interactions energy: -287.479
where: short stacking energy: -137.672
Base-Backbone interact. energy: -0.175
local terms energy: -186.754226
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -418.278233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.278233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.278233 (E_RNA)
where:
Base-Base interactions energy: -260.049
where: short stacking energy: -138.149
Base-Backbone interact. energy: 0.703
local terms energy: -158.932019
where:
bonds (distance) C4'-P energy: -29.433
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -38.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -332.648251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.648251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.648251 (E_RNA)
where:
Base-Base interactions energy: -187.691
where: short stacking energy: -94.476
Base-Backbone interact. energy: -0.506
local terms energy: -144.451573
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -344.963921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.963921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.963921 (E_RNA)
where:
Base-Base interactions energy: -208.747
where: short stacking energy: -87.543
Base-Backbone interact. energy: 0.134
local terms energy: -136.351270
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -300.356027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.356027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.356027 (E_RNA)
where:
Base-Base interactions energy: -178.301
where: short stacking energy: -89.259
Base-Backbone interact. energy: 1.618
local terms energy: -123.673148
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -169.456948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.456948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.456948 (E_RNA)
where:
Base-Base interactions energy: -63.515
where: short stacking energy: -60.952
Base-Backbone interact. energy: 2.370
local terms energy: -108.312362
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -157.534190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.534190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.534190 (E_RNA)
where:
Base-Base interactions energy: -49.317
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.469
local terms energy: -107.747796
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -581.670913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.670913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.670913 (E_RNA)
where:
Base-Base interactions energy: -379.060
where: short stacking energy: -195.540
Base-Backbone interact. energy: -0.041
local terms energy: -202.570341
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -37.175
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -60.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -544.408514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.408514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.408514 (E_RNA)
where:
Base-Base interactions energy: -367.525
where: short stacking energy: -160.401
Base-Backbone interact. energy: -0.433
local terms energy: -176.450190
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -39.705
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -525.924924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.924924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.924924 (E_RNA)
where:
Base-Base interactions energy: -338.748
where: short stacking energy: -160.517
Base-Backbone interact. energy: 0.231
local terms energy: -187.407311
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -52.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -437.212029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.212029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.212029 (E_RNA)
where:
Base-Base interactions energy: -263.950
where: short stacking energy: -136.068
Base-Backbone interact. energy: -0.156
local terms energy: -173.106498
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -44.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -441.814058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.814058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.814058 (E_RNA)
where:
Base-Base interactions energy: -281.918
where: short stacking energy: -130.476
Base-Backbone interact. energy: -0.297
local terms energy: -159.598787
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -40.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -368.239042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.239042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.239042 (E_RNA)
where:
Base-Base interactions energy: -239.340
where: short stacking energy: -106.107
Base-Backbone interact. energy: -2.163
local terms energy: -126.736411
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -349.059933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.059933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.059933 (E_RNA)
where:
Base-Base interactions energy: -200.069
where: short stacking energy: -111.600
Base-Backbone interact. energy: -0.604
local terms energy: -148.386498
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -30.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -315.341109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.341109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.341109 (E_RNA)
where:
Base-Base interactions energy: -178.351
where: short stacking energy: -91.105
Base-Backbone interact. energy: -0.485
local terms energy: -136.504751
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -173.206687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.206687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.206687 (E_RNA)
where:
Base-Base interactions energy: -78.002
where: short stacking energy: -70.015
Base-Backbone interact. energy: 0.312
local terms energy: -95.516333
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -167.592991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592991 (E_RNA)
where:
Base-Base interactions energy: -65.516
where: short stacking energy: -53.749
Base-Backbone interact. energy: -1.189
local terms energy: -100.888100
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -577.238771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.238771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.238771 (E_RNA)
where:
Base-Base interactions energy: -384.640
where: short stacking energy: -185.516
Base-Backbone interact. energy: -0.650
local terms energy: -191.948588
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -58.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -541.650043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.650043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.650043 (E_RNA)
where:
Base-Base interactions energy: -356.680
where: short stacking energy: -164.099
Base-Backbone interact. energy: -0.286
local terms energy: -184.683942
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -38.555
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -50.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -536.321629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.321629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.321629 (E_RNA)
where:
Base-Base interactions energy: -343.759
where: short stacking energy: -162.791
Base-Backbone interact. energy: -0.393
local terms energy: -192.169492
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -53.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -424.679515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.679515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.679515 (E_RNA)
where:
Base-Base interactions energy: -262.067
where: short stacking energy: -126.759
Base-Backbone interact. energy: -0.522
local terms energy: -162.090127
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -427.902044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.902044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.902044 (E_RNA)
where:
Base-Base interactions energy: -271.124
where: short stacking energy: -125.887
Base-Backbone interact. energy: -0.250
local terms energy: -156.527371
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -37.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -394.985495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.985495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.985495 (E_RNA)
where:
Base-Base interactions energy: -263.168
where: short stacking energy: -124.771
Base-Backbone interact. energy: -0.549
local terms energy: -131.268492
where:
bonds (distance) C4'-P energy: -30.637
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -26.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -351.963551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.963551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.963551 (E_RNA)
where:
Base-Base interactions energy: -208.107
where: short stacking energy: -115.873
Base-Backbone interact. energy: -0.189
local terms energy: -143.666773
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -32.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -314.229460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.229460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.229460 (E_RNA)
where:
Base-Base interactions energy: -184.298
where: short stacking energy: -89.353
Base-Backbone interact. energy: 0.599
local terms energy: -130.530573
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -166.185933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.185933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.185933 (E_RNA)
where:
Base-Base interactions energy: -59.911
where: short stacking energy: -51.345
Base-Backbone interact. energy: 0.797
local terms energy: -107.072173
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -157.505072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.505072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.505072 (E_RNA)
where:
Base-Base interactions energy: -60.901
where: short stacking energy: -48.939
Base-Backbone interact. energy: -1.139
local terms energy: -95.465154
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -575.314924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.314924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.314924 (E_RNA)
where:
Base-Base interactions energy: -370.437
where: short stacking energy: -184.050
Base-Backbone interact. energy: -0.026
local terms energy: -204.851300
where:
bonds (distance) C4'-P energy: -42.300
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -31.166
tors. eta vs tors. theta energy: -57.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -528.085034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.085034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.085034 (E_RNA)
where:
Base-Base interactions energy: -353.703
where: short stacking energy: -162.364
Base-Backbone interact. energy: -0.295
local terms energy: -174.087764
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -48.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -524.323562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.323562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.323562 (E_RNA)
where:
Base-Base interactions energy: -349.745
where: short stacking energy: -164.737
Base-Backbone interact. energy: -0.642
local terms energy: -173.936952
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -46.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -467.625710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.625710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.625710 (E_RNA)
where:
Base-Base interactions energy: -299.338
where: short stacking energy: -149.217
Base-Backbone interact. energy: -0.252
local terms energy: -168.035829
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -388.393801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.393801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.393801 (E_RNA)
where:
Base-Base interactions energy: -240.238
where: short stacking energy: -114.610
Base-Backbone interact. energy: -0.641
local terms energy: -147.514577
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -31.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -357.027977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.027977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.027977 (E_RNA)
where:
Base-Base interactions energy: -202.379
where: short stacking energy: -116.742
Base-Backbone interact. energy: -0.388
local terms energy: -154.261281
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -353.138485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.138485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.138485 (E_RNA)
where:
Base-Base interactions energy: -205.715
where: short stacking energy: -94.693
Base-Backbone interact. energy: -0.601
local terms energy: -146.822663
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -303.692949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.692949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.692949 (E_RNA)
where:
Base-Base interactions energy: -180.805
where: short stacking energy: -100.220
Base-Backbone interact. energy: -0.433
local terms energy: -122.455121
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -173.028739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.028739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.028739 (E_RNA)
where:
Base-Base interactions energy: -52.707
where: short stacking energy: -50.557
Base-Backbone interact. energy: 2.526
local terms energy: -122.847828
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -150.326411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.326411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.326411 (E_RNA)
where:
Base-Base interactions energy: -50.218
where: short stacking energy: -50.218
Base-Backbone interact. energy: 1.582
local terms energy: -101.690374
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -582.548259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.548259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.548259 (E_RNA)
where:
Base-Base interactions energy: -380.544
where: short stacking energy: -188.116
Base-Backbone interact. energy: -0.765
local terms energy: -201.239192
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -40.342
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -60.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -516.802754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.802754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.802754 (E_RNA)
where:
Base-Base interactions energy: -341.708
where: short stacking energy: -159.577
Base-Backbone interact. energy: -1.064
local terms energy: -174.031163
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -517.195507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.195507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.195507 (E_RNA)
where:
Base-Base interactions energy: -350.910
where: short stacking energy: -156.307
Base-Backbone interact. energy: -1.922
local terms energy: -164.363579
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -39.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -473.873376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.873376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.873376 (E_RNA)
where:
Base-Base interactions energy: -298.796
where: short stacking energy: -149.667
Base-Backbone interact. energy: 0.093
local terms energy: -175.169836
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -354.771543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.771543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.771543 (E_RNA)
where:
Base-Base interactions energy: -207.175
where: short stacking energy: -121.033
Base-Backbone interact. energy: -0.054
local terms energy: -147.542546
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -389.377598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.377598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.377598 (E_RNA)
where:
Base-Base interactions energy: -234.681
where: short stacking energy: -104.783
Base-Backbone interact. energy: -0.476
local terms energy: -154.220678
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -31.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -351.892816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.892816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.892816 (E_RNA)
where:
Base-Base interactions energy: -219.000
where: short stacking energy: -96.195
Base-Backbone interact. energy: 0.427
local terms energy: -133.319729
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -309.910263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.910263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.910263 (E_RNA)
where:
Base-Base interactions energy: -181.460
where: short stacking energy: -86.731
Base-Backbone interact. energy: -0.510
local terms energy: -127.939810
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -195.907921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.907921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.907921 (E_RNA)
where:
Base-Base interactions energy: -98.086
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.507
local terms energy: -97.314995
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: 6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -150.539597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.539597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.539597 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.404
local terms energy: -101.590452
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: 3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -587.204331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.204331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.204331 (E_RNA)
where:
Base-Base interactions energy: -381.606
where: short stacking energy: -194.505
Base-Backbone interact. energy: -0.007
local terms energy: -205.590924
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -63.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -537.188964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.188964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.188964 (E_RNA)
where:
Base-Base interactions energy: -363.788
where: short stacking energy: -158.285
Base-Backbone interact. energy: -0.890
local terms energy: -172.510762
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -39.059
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -47.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -495.062930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.062930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.062930 (E_RNA)
where:
Base-Base interactions energy: -314.146
where: short stacking energy: -149.743
Base-Backbone interact. energy: -0.862
local terms energy: -180.055051
where:
bonds (distance) C4'-P energy: -38.038
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -464.583237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.583237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.583237 (E_RNA)
where:
Base-Base interactions energy: -290.033
where: short stacking energy: -152.844
Base-Backbone interact. energy: -0.237
local terms energy: -174.313026
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -39.381
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -44.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -350.318220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.318220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.318220 (E_RNA)
where:
Base-Base interactions energy: -208.154
where: short stacking energy: -102.321
Base-Backbone interact. energy: 1.179
local terms energy: -143.343092
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -384.275067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.275067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.275067 (E_RNA)
where:
Base-Base interactions energy: -229.605
where: short stacking energy: -119.506
Base-Backbone interact. energy: -0.328
local terms energy: -154.341636
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -38.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -343.162765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.162765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.162765 (E_RNA)
where:
Base-Base interactions energy: -206.815
where: short stacking energy: -99.579
Base-Backbone interact. energy: -0.384
local terms energy: -135.964084
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -298.231890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.231890 (E_RNA)
where:
Base-Base interactions energy: -159.146
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.226
local terms energy: -138.860409
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -34.776
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -257.659634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.659634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.659634 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -72.650
Base-Backbone interact. energy: 0.862
local terms energy: -124.504733
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -170.369757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.369757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.369757 (E_RNA)
where:
Base-Base interactions energy: -60.323
where: short stacking energy: -58.315
Base-Backbone interact. energy: 1.096
local terms energy: -111.142226
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -583.106964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.106964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.106964 (E_RNA)
where:
Base-Base interactions energy: -383.172
where: short stacking energy: -183.077
Base-Backbone interact. energy: -0.081
local terms energy: -199.853954
where:
bonds (distance) C4'-P energy: -36.147
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -59.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -549.123234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.123234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.123234 (E_RNA)
where:
Base-Base interactions energy: -363.327
where: short stacking energy: -167.012
Base-Backbone interact. energy: -0.339
local terms energy: -185.457607
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -49.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -491.404393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.404393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.404393 (E_RNA)
where:
Base-Base interactions energy: -319.967
where: short stacking energy: -147.822
Base-Backbone interact. energy: -0.441
local terms energy: -170.996846
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -43.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -471.633892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.633892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.633892 (E_RNA)
where:
Base-Base interactions energy: -295.860
where: short stacking energy: -146.603
Base-Backbone interact. energy: -0.608
local terms energy: -175.166251
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -52.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -412.614623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.614623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.614623 (E_RNA)
where:
Base-Base interactions energy: -251.744
where: short stacking energy: -125.703
Base-Backbone interact. energy: -0.103
local terms energy: -160.767001
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -40.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -347.257656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.257656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.257656 (E_RNA)
where:
Base-Base interactions energy: -210.946
where: short stacking energy: -103.553
Base-Backbone interact. energy: -0.333
local terms energy: -135.978169
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -28.600
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -325.341773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.341773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.341773 (E_RNA)
where:
Base-Base interactions energy: -195.639
where: short stacking energy: -94.106
Base-Backbone interact. energy: 0.983
local terms energy: -130.685105
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -293.269850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.269850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.269850 (E_RNA)
where:
Base-Base interactions energy: -167.914
where: short stacking energy: -91.780
Base-Backbone interact. energy: -1.303
local terms energy: -124.053382
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -280.156660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.156660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.156660 (E_RNA)
where:
Base-Base interactions energy: -168.399
where: short stacking energy: -78.043
Base-Backbone interact. energy: -0.341
local terms energy: -111.416864
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -166.715115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.715115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.715115 (E_RNA)
where:
Base-Base interactions energy: -57.669
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.315
local terms energy: -108.730640
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -585.465458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.465458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.465458 (E_RNA)
where:
Base-Base interactions energy: -383.102
where: short stacking energy: -189.439
Base-Backbone interact. energy: -0.051
local terms energy: -202.312023
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -39.828
flat angles C4'-P-C4' energy: -40.098
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -61.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -530.493987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.493987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.493987 (E_RNA)
where:
Base-Base interactions energy: -349.647
where: short stacking energy: -153.803
Base-Backbone interact. energy: 0.105
local terms energy: -180.952261
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -36.875
flat angles C4'-P-C4' energy: -34.630
flat angles P-C4'-P energy: -28.746
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -472.506024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.506024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.506024 (E_RNA)
where:
Base-Base interactions energy: -320.539
where: short stacking energy: -132.295
Base-Backbone interact. energy: 0.820
local terms energy: -152.786812
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -33.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -494.894292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.894292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.894292 (E_RNA)
where:
Base-Base interactions energy: -308.154
where: short stacking energy: -160.878
Base-Backbone interact. energy: -0.379
local terms energy: -186.361126
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -51.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -396.166704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.166704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.166704 (E_RNA)
where:
Base-Base interactions energy: -245.381
where: short stacking energy: -125.411
Base-Backbone interact. energy: -1.561
local terms energy: -149.224079
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -33.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -342.954427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.954427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.954427 (E_RNA)
where:
Base-Base interactions energy: -201.904
where: short stacking energy: -110.140
Base-Backbone interact. energy: -0.203
local terms energy: -140.847463
where:
bonds (distance) C4'-P energy: -32.128
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -334.034676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.034676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.034676 (E_RNA)
where:
Base-Base interactions energy: -189.686
where: short stacking energy: -92.142
Base-Backbone interact. energy: -0.707
local terms energy: -143.641093
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -298.518063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.518063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.518063 (E_RNA)
where:
Base-Base interactions energy: -178.258
where: short stacking energy: -84.294
Base-Backbone interact. energy: -0.543
local terms energy: -119.717827
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -316.339139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.339139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.339139 (E_RNA)
where:
Base-Base interactions energy: -189.695
where: short stacking energy: -103.410
Base-Backbone interact. energy: -0.449
local terms energy: -126.194999
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -150.514080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.514080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.514080 (E_RNA)
where:
Base-Base interactions energy: -51.860
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.475
local terms energy: -98.178708
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: 3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -586.235736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.235736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.235736 (E_RNA)
where:
Base-Base interactions energy: -395.786
where: short stacking energy: -194.281
Base-Backbone interact. energy: -0.398
local terms energy: -190.051878
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -58.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -545.684359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.684359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.684359 (E_RNA)
where:
Base-Base interactions energy: -352.805
where: short stacking energy: -164.419
Base-Backbone interact. energy: -1.281
local terms energy: -191.598622
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -29.401
tors. eta vs tors. theta energy: -52.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -507.079886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.079886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.079886 (E_RNA)
where:
Base-Base interactions energy: -332.008
where: short stacking energy: -178.844
Base-Backbone interact. energy: -0.142
local terms energy: -174.930175
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -33.378
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -55.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -485.331156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.331156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.331156 (E_RNA)
where:
Base-Base interactions energy: -326.334
where: short stacking energy: -148.999
Base-Backbone interact. energy: 1.030
local terms energy: -160.026912
where:
bonds (distance) C4'-P energy: -31.512
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -38.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -410.639358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.639358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.639358 (E_RNA)
where:
Base-Base interactions energy: -240.679
where: short stacking energy: -130.276
Base-Backbone interact. energy: -0.108
local terms energy: -169.851842
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -43.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -333.503124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.503124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.503124 (E_RNA)
where:
Base-Base interactions energy: -189.967
where: short stacking energy: -105.826
Base-Backbone interact. energy: -0.661
local terms energy: -142.874701
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -330.499774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.499774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.499774 (E_RNA)
where:
Base-Base interactions energy: -188.051
where: short stacking energy: -98.158
Base-Backbone interact. energy: 0.566
local terms energy: -143.014795
where:
bonds (distance) C4'-P energy: -32.372
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -286.510855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.510855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.510855 (E_RNA)
where:
Base-Base interactions energy: -180.197
where: short stacking energy: -83.087
Base-Backbone interact. energy: 2.590
local terms energy: -108.903832
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -304.448328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.448328 (E_RNA)
where:
Base-Base interactions energy: -180.223
where: short stacking energy: -92.758
Base-Backbone interact. energy: 0.963
local terms energy: -125.188718
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -165.976424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976424 (E_RNA)
where:
Base-Base interactions energy: -55.513
where: short stacking energy: -52.277
Base-Backbone interact. energy: 5.392
local terms energy: -115.854514
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -592.110202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.110202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.110202 (E_RNA)
where:
Base-Base interactions energy: -381.702
where: short stacking energy: -184.612
Base-Backbone interact. energy: -0.148
local terms energy: -210.260820
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -42.436
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -56.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -518.434728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.434728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.434728 (E_RNA)
where:
Base-Base interactions energy: -321.540
where: short stacking energy: -174.400
Base-Backbone interact. energy: -3.857
local terms energy: -193.038181
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -57.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -522.917519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.917519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.917519 (E_RNA)
where:
Base-Base interactions energy: -346.258
where: short stacking energy: -167.233
Base-Backbone interact. energy: -0.239
local terms energy: -176.420612
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -508.606975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.606975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.606975 (E_RNA)
where:
Base-Base interactions energy: -335.578
where: short stacking energy: -152.801
Base-Backbone interact. energy: -0.156
local terms energy: -172.872945
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -45.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -390.462427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.462427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.462427 (E_RNA)
where:
Base-Base interactions energy: -241.922
where: short stacking energy: -115.052
Base-Backbone interact. energy: -0.353
local terms energy: -148.187146
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -357.141101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.141101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.141101 (E_RNA)
where:
Base-Base interactions energy: -210.473
where: short stacking energy: -123.873
Base-Backbone interact. energy: -0.280
local terms energy: -146.387336
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -33.336
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -313.959648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.959648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.959648 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -81.874
Base-Backbone interact. energy: -0.858
local terms energy: -127.803742
where:
bonds (distance) C4'-P energy: -38.250
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -318.852794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.852794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.852794 (E_RNA)
where:
Base-Base interactions energy: -180.545
where: short stacking energy: -91.623
Base-Backbone interact. energy: -0.850
local terms energy: -137.457892
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -290.637315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.637315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.637315 (E_RNA)
where:
Base-Base interactions energy: -156.153
where: short stacking energy: -86.634
Base-Backbone interact. energy: -0.439
local terms energy: -134.045288
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -170.016378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016378 (E_RNA)
where:
Base-Base interactions energy: -55.856
where: short stacking energy: -42.387
Base-Backbone interact. energy: -0.613
local terms energy: -113.547020
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -569.012010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.012010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.012010 (E_RNA)
where:
Base-Base interactions energy: -376.288
where: short stacking energy: -190.767
Base-Backbone interact. energy: -0.256
local terms energy: -192.468318
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -58.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -514.258803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.258803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.258803 (E_RNA)
where:
Base-Base interactions energy: -330.513
where: short stacking energy: -175.048
Base-Backbone interact. energy: -0.033
local terms energy: -183.711849
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -52.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -532.106770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.106770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.106770 (E_RNA)
where:
Base-Base interactions energy: -334.766
where: short stacking energy: -157.936
Base-Backbone interact. energy: -0.251
local terms energy: -197.089885
where:
bonds (distance) C4'-P energy: -40.450
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -37.766
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -51.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -509.009356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.009356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.009356 (E_RNA)
where:
Base-Base interactions energy: -337.649
where: short stacking energy: -150.873
Base-Backbone interact. energy: -0.198
local terms energy: -171.161500
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -37.138
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -45.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -367.567606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.567606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.567606 (E_RNA)
where:
Base-Base interactions energy: -223.405
where: short stacking energy: -105.482
Base-Backbone interact. energy: 1.418
local terms energy: -145.580567
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -395.219487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.219487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.219487 (E_RNA)
where:
Base-Base interactions energy: -247.787
where: short stacking energy: -113.597
Base-Backbone interact. energy: -0.004
local terms energy: -147.429246
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -37.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -321.989074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.989074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.989074 (E_RNA)
where:
Base-Base interactions energy: -186.027
where: short stacking energy: -93.892
Base-Backbone interact. energy: -0.074
local terms energy: -135.887743
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -314.680333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.680333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.680333 (E_RNA)
where:
Base-Base interactions energy: -179.004
where: short stacking energy: -89.687
Base-Backbone interact. energy: 1.831
local terms energy: -137.507461
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -305.244231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.244231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.244231 (E_RNA)
where:
Base-Base interactions energy: -180.766
where: short stacking energy: -91.435
Base-Backbone interact. energy: 0.137
local terms energy: -124.615083
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -167.219121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.219121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.219121 (E_RNA)
where:
Base-Base interactions energy: -75.257
where: short stacking energy: -58.947
Base-Backbone interact. energy: 0.124
local terms energy: -92.086057
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -572.793466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.793466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.793466 (E_RNA)
where:
Base-Base interactions energy: -374.346
where: short stacking energy: -185.728
Base-Backbone interact. energy: -0.038
local terms energy: -198.409433
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -57.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -543.689279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.689279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.689279 (E_RNA)
where:
Base-Base interactions energy: -353.513
where: short stacking energy: -156.214
Base-Backbone interact. energy: -0.231
local terms energy: -189.945642
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -52.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -497.979636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.979636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.979636 (E_RNA)
where:
Base-Base interactions energy: -318.463
where: short stacking energy: -169.549
Base-Backbone interact. energy: -0.281
local terms energy: -179.235369
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -478.141117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.141117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.141117 (E_RNA)
where:
Base-Base interactions energy: -313.546
where: short stacking energy: -141.018
Base-Backbone interact. energy: -0.450
local terms energy: -164.145508
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -37.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -378.173114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.173114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.173114 (E_RNA)
where:
Base-Base interactions energy: -212.104
where: short stacking energy: -118.800
Base-Backbone interact. energy: -0.217
local terms energy: -165.852559
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -38.449
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -41.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -396.811783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.811783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.811783 (E_RNA)
where:
Base-Base interactions energy: -253.588
where: short stacking energy: -139.433
Base-Backbone interact. energy: -0.225
local terms energy: -142.998648
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -35.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -341.580109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.580109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.580109 (E_RNA)
where:
Base-Base interactions energy: -197.883
where: short stacking energy: -93.692
Base-Backbone interact. energy: -0.387
local terms energy: -143.310265
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -297.296885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.296885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.296885 (E_RNA)
where:
Base-Base interactions energy: -165.204
where: short stacking energy: -82.873
Base-Backbone interact. energy: -0.408
local terms energy: -131.684103
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -37.308
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -307.493164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.493164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.493164 (E_RNA)
where:
Base-Base interactions energy: -175.656
where: short stacking energy: -92.157
Base-Backbone interact. energy: -1.155
local terms energy: -130.681636
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -164.640341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.640341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.640341 (E_RNA)
where:
Base-Base interactions energy: -64.734
where: short stacking energy: -46.758
Base-Backbone interact. energy: -0.860
local terms energy: -99.046264
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: 3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -587.094728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.094728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.094728 (E_RNA)
where:
Base-Base interactions energy: -392.342
where: short stacking energy: -187.528
Base-Backbone interact. energy: -0.145
local terms energy: -194.607901
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -35.128
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -571.592308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.592308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.592308 (E_RNA)
where:
Base-Base interactions energy: -378.217
where: short stacking energy: -182.434
Base-Backbone interact. energy: -0.625
local terms energy: -192.750599
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -57.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -491.980354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.980354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.980354 (E_RNA)
where:
Base-Base interactions energy: -305.296
where: short stacking energy: -172.447
Base-Backbone interact. energy: -0.324
local terms energy: -186.359987
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -35.048
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -54.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -475.538827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.538827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.538827 (E_RNA)
where:
Base-Base interactions energy: -309.806
where: short stacking energy: -148.426
Base-Backbone interact. energy: -0.421
local terms energy: -165.312171
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -37.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -373.798512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.798512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.798512 (E_RNA)
where:
Base-Base interactions energy: -224.497
where: short stacking energy: -125.334
Base-Backbone interact. energy: -0.048
local terms energy: -149.253379
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -37.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -389.052845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.052845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.052845 (E_RNA)
where:
Base-Base interactions energy: -247.572
where: short stacking energy: -116.181
Base-Backbone interact. energy: -0.427
local terms energy: -141.054427
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -38.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -325.045838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.045838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.045838 (E_RNA)
where:
Base-Base interactions energy: -186.132
where: short stacking energy: -98.683
Base-Backbone interact. energy: 0.559
local terms energy: -139.473054
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -290.611427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.611427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.611427 (E_RNA)
where:
Base-Base interactions energy: -156.312
where: short stacking energy: -76.527
Base-Backbone interact. energy: 0.067
local terms energy: -134.366461
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -31.233
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -299.176395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.176395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.176395 (E_RNA)
where:
Base-Base interactions energy: -180.682
where: short stacking energy: -101.468
Base-Backbone interact. energy: -0.243
local terms energy: -118.250761
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -167.377743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.377743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.377743 (E_RNA)
where:
Base-Base interactions energy: -62.815
where: short stacking energy: -58.236
Base-Backbone interact. energy: 0.593
local terms energy: -105.155192
where:
bonds (distance) C4'-P energy: -32.890
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -577.743615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.743615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.743615 (E_RNA)
where:
Base-Base interactions energy: -382.975
where: short stacking energy: -185.495
Base-Backbone interact. energy: -0.101
local terms energy: -194.667399
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -57.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -551.375070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.375070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.375070 (E_RNA)
where:
Base-Base interactions energy: -367.845
where: short stacking energy: -173.685
Base-Backbone interact. energy: -0.233
local terms energy: -183.296874
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -39.317
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -490.860014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.860014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.860014 (E_RNA)
where:
Base-Base interactions energy: -309.959
where: short stacking energy: -146.381
Base-Backbone interact. energy: -0.702
local terms energy: -180.199321
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -37.026
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -361.372090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.372090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.372090 (E_RNA)
where:
Base-Base interactions energy: -224.107
where: short stacking energy: -133.578
Base-Backbone interact. energy: -0.649
local terms energy: -136.616457
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -479.995821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.995821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.995821 (E_RNA)
where:
Base-Base interactions energy: -315.927
where: short stacking energy: -163.064
Base-Backbone interact. energy: -0.021
local terms energy: -164.048442
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -389.545628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.545628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.545628 (E_RNA)
where:
Base-Base interactions energy: -239.380
where: short stacking energy: -106.678
Base-Backbone interact. energy: -0.388
local terms energy: -149.777701
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -35.827
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -29.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -320.318171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.318171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.318171 (E_RNA)
where:
Base-Base interactions energy: -189.103
where: short stacking energy: -88.644
Base-Backbone interact. energy: 0.934
local terms energy: -132.148768
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -305.947694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.947694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.947694 (E_RNA)
where:
Base-Base interactions energy: -172.944
where: short stacking energy: -80.909
Base-Backbone interact. energy: 0.820
local terms energy: -133.823289
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -297.678094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.678094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.678094 (E_RNA)
where:
Base-Base interactions energy: -181.552
where: short stacking energy: -85.214
Base-Backbone interact. energy: -1.144
local terms energy: -114.981421
where:
bonds (distance) C4'-P energy: -38.201
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -151.496453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.496453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.496453 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.585
local terms energy: -92.075345
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -571.885033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.885033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.885033 (E_RNA)
where:
Base-Base interactions energy: -384.062
where: short stacking energy: -183.449
Base-Backbone interact. energy: -0.272
local terms energy: -187.551356
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -54.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -549.844211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.844211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.844211 (E_RNA)
where:
Base-Base interactions energy: -357.935
where: short stacking energy: -172.292
Base-Backbone interact. energy: -0.013
local terms energy: -191.896347
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -55.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -468.059420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.059420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.059420 (E_RNA)
where:
Base-Base interactions energy: -293.872
where: short stacking energy: -149.494
Base-Backbone interact. energy: 0.028
local terms energy: -174.216065
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -44.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -379.701859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.701859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.701859 (E_RNA)
where:
Base-Base interactions energy: -232.795
where: short stacking energy: -125.970
Base-Backbone interact. energy: -0.184
local terms energy: -146.722897
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -36.994
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -398.385479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.385479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.385479 (E_RNA)
where:
Base-Base interactions energy: -256.916
where: short stacking energy: -127.113
Base-Backbone interact. energy: 1.000
local terms energy: -142.468628
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -460.876178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.876178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.876178 (E_RNA)
where:
Base-Base interactions energy: -298.058
where: short stacking energy: -139.246
Base-Backbone interact. energy: -0.150
local terms energy: -162.667401
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -314.545218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.545218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.545218 (E_RNA)
where:
Base-Base interactions energy: -173.401
where: short stacking energy: -90.426
Base-Backbone interact. energy: -0.237
local terms energy: -140.906915
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -299.291675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.291675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.291675 (E_RNA)
where:
Base-Base interactions energy: -170.806
where: short stacking energy: -84.567
Base-Backbone interact. energy: 1.325
local terms energy: -129.810749
where:
bonds (distance) C4'-P energy: -35.465
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -37.642
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -296.055592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.055592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.055592 (E_RNA)
where:
Base-Base interactions energy: -177.670
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.559
local terms energy: -117.825911
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -153.832104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.832104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.832104 (E_RNA)
where:
Base-Base interactions energy: -67.942
where: short stacking energy: -50.005
Base-Backbone interact. energy: 1.844
local terms energy: -87.734042
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: 3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -589.503880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.503880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.503880 (E_RNA)
where:
Base-Base interactions energy: -387.036
where: short stacking energy: -191.053
Base-Backbone interact. energy: -0.154
local terms energy: -202.314032
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -35.940
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -60.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -553.781261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.781261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.781261 (E_RNA)
where:
Base-Base interactions energy: -362.989
where: short stacking energy: -161.882
Base-Backbone interact. energy: -0.268
local terms energy: -190.523778
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -51.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -508.042994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.042994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.042994 (E_RNA)
where:
Base-Base interactions energy: -318.151
where: short stacking energy: -171.142
Base-Backbone interact. energy: -0.064
local terms energy: -189.827515
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -34.254
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -53.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -429.019579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.019579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.019579 (E_RNA)
where:
Base-Base interactions energy: -270.656
where: short stacking energy: -125.692
Base-Backbone interact. energy: -0.882
local terms energy: -157.481340
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -359.663664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.663664 (E_RNA)
where:
Base-Base interactions energy: -216.056
where: short stacking energy: -117.443
Base-Backbone interact. energy: -0.233
local terms energy: -143.374730
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -28.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -342.831774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.831774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.831774 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -102.570
Base-Backbone interact. energy: -0.269
local terms energy: -151.136381
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -25.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -446.959373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.959373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.959373 (E_RNA)
where:
Base-Base interactions energy: -306.294
where: short stacking energy: -142.686
Base-Backbone interact. energy: -0.089
local terms energy: -140.577036
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -41.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -307.329288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.329288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.329288 (E_RNA)
where:
Base-Base interactions energy: -189.091
where: short stacking energy: -103.152
Base-Backbone interact. energy: -0.156
local terms energy: -118.082531
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -310.233030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.233030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.233030 (E_RNA)
where:
Base-Base interactions energy: -181.677
where: short stacking energy: -95.150
Base-Backbone interact. energy: -0.485
local terms energy: -128.071563
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -148.988898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.988898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.988898 (E_RNA)
where:
Base-Base interactions energy: -48.585
where: short stacking energy: -37.195
Base-Backbone interact. energy: 0.328
local terms energy: -100.732492
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -565.520716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.520716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.520716 (E_RNA)
where:
Base-Base interactions energy: -380.012
where: short stacking energy: -178.957
Base-Backbone interact. energy: -0.012
local terms energy: -185.497375
where:
bonds (distance) C4'-P energy: -36.483
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -36.060
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -56.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -560.577056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.577056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.577056 (E_RNA)
where:
Base-Base interactions energy: -378.369
where: short stacking energy: -184.452
Base-Backbone interact. energy: -0.062
local terms energy: -182.146762
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -39.745
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -55.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -486.731530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.731530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.731530 (E_RNA)
where:
Base-Base interactions energy: -313.206
where: short stacking energy: -167.896
Base-Backbone interact. energy: -0.018
local terms energy: -173.508333
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -30.263
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -24.957
tors. eta vs tors. theta energy: -53.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -420.439456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.439456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.439456 (E_RNA)
where:
Base-Base interactions energy: -254.475
where: short stacking energy: -141.199
Base-Backbone interact. energy: -0.156
local terms energy: -165.808194
where:
bonds (distance) C4'-P energy: -32.941
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -339.244701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.244701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.244701 (E_RNA)
where:
Base-Base interactions energy: -196.465
where: short stacking energy: -88.232
Base-Backbone interact. energy: 1.248
local terms energy: -144.027529
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -38.640
flat angles C4'-P-C4' energy: -33.780
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -340.269225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.269225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.269225 (E_RNA)
where:
Base-Base interactions energy: -189.765
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.093
local terms energy: -150.411240
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -357.614717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.614717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.614717 (E_RNA)
where:
Base-Base interactions energy: -207.075
where: short stacking energy: -110.045
Base-Backbone interact. energy: -0.399
local terms energy: -150.140646
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -324.269145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.269145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.269145 (E_RNA)
where:
Base-Base interactions energy: -195.314
where: short stacking energy: -95.492
Base-Backbone interact. energy: 0.345
local terms energy: -129.300264
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -297.069280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.069280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.069280 (E_RNA)
where:
Base-Base interactions energy: -170.497
where: short stacking energy: -83.042
Base-Backbone interact. energy: -0.472
local terms energy: -126.100183
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -207.453827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.453827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.453827 (E_RNA)
where:
Base-Base interactions energy: -89.560
where: short stacking energy: -55.219
Base-Backbone interact. energy: -1.025
local terms energy: -116.868548
where:
bonds (distance) C4'-P energy: -36.229
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -556.138246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.138246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.138246 (E_RNA)
where:
Base-Base interactions energy: -372.766
where: short stacking energy: -180.373
Base-Backbone interact. energy: -1.408
local terms energy: -181.964095
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -55.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -569.247717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.247717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.247717 (E_RNA)
where:
Base-Base interactions energy: -376.727
where: short stacking energy: -181.230
Base-Backbone interact. energy: -0.012
local terms energy: -192.508665
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -57.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -482.169380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.169380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.169380 (E_RNA)
where:
Base-Base interactions energy: -304.152
where: short stacking energy: -150.855
Base-Backbone interact. energy: 0.231
local terms energy: -178.248415
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -43.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -432.015578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.015578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.015578 (E_RNA)
where:
Base-Base interactions energy: -267.489
where: short stacking energy: -138.832
Base-Backbone interact. energy: -0.011
local terms energy: -164.515616
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -40.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -346.812948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.812948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.812948 (E_RNA)
where:
Base-Base interactions energy: -205.812
where: short stacking energy: -113.112
Base-Backbone interact. energy: -0.621
local terms energy: -140.379635
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -328.155557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.155557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.155557 (E_RNA)
where:
Base-Base interactions energy: -200.783
where: short stacking energy: -98.771
Base-Backbone interact. energy: -0.409
local terms energy: -126.963599
where:
bonds (distance) C4'-P energy: -29.326
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -397.119699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.119699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.119699 (E_RNA)
where:
Base-Base interactions energy: -251.071
where: short stacking energy: -116.835
Base-Backbone interact. energy: -0.396
local terms energy: -145.653080
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -302.243341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.243341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.243341 (E_RNA)
where:
Base-Base interactions energy: -170.998
where: short stacking energy: -78.889
Base-Backbone interact. energy: -1.357
local terms energy: -129.887821
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -34.460
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -302.413872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.413872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.413872 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -94.155
Base-Backbone interact. energy: 0.000
local terms energy: -135.613070
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -156.552967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.552967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.552967 (E_RNA)
where:
Base-Base interactions energy: -50.319
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.424
local terms energy: -105.809925
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: 5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -588.351403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.351403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.351403 (E_RNA)
where:
Base-Base interactions energy: -390.375
where: short stacking energy: -201.302
Base-Backbone interact. energy: -0.036
local terms energy: -197.940057
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -26.568
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -549.078044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.078044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.078044 (E_RNA)
where:
Base-Base interactions energy: -357.269
where: short stacking energy: -173.338
Base-Backbone interact. energy: -0.010
local terms energy: -191.799136
where:
bonds (distance) C4'-P energy: -30.979
bonds (distance) P-C4' energy: -38.737
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -57.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -481.411122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.411122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.411122 (E_RNA)
where:
Base-Base interactions energy: -298.841
where: short stacking energy: -154.397
Base-Backbone interact. energy: 1.182
local terms energy: -183.752172
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -50.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -440.659108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.659108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.659108 (E_RNA)
where:
Base-Base interactions energy: -276.204
where: short stacking energy: -124.597
Base-Backbone interact. energy: -0.497
local terms energy: -163.957755
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -38.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -354.099026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.099026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.099026 (E_RNA)
where:
Base-Base interactions energy: -206.800
where: short stacking energy: -109.673
Base-Backbone interact. energy: -1.069
local terms energy: -146.230333
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -317.875981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.875981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.875981 (E_RNA)
where:
Base-Base interactions energy: -175.233
where: short stacking energy: -99.489
Base-Backbone interact. energy: -0.643
local terms energy: -141.999209
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -385.309362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.309362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.309362 (E_RNA)
where:
Base-Base interactions energy: -236.810
where: short stacking energy: -132.904
Base-Backbone interact. energy: -0.327
local terms energy: -148.172090
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -35.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -305.599822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.599822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.599822 (E_RNA)
where:
Base-Base interactions energy: -176.361
where: short stacking energy: -95.424
Base-Backbone interact. energy: 0.518
local terms energy: -129.756441
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -317.851000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.851000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.851000 (E_RNA)
where:
Base-Base interactions energy: -181.465
where: short stacking energy: -86.844
Base-Backbone interact. energy: 0.160
local terms energy: -136.546596
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -150.867987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.867987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.867987 (E_RNA)
where:
Base-Base interactions energy: -49.106
where: short stacking energy: -46.088
Base-Backbone interact. energy: 0.822
local terms energy: -102.584474
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -36.103
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: 2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -581.078679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.078679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.078679 (E_RNA)
where:
Base-Base interactions energy: -378.426
where: short stacking energy: -180.728
Base-Backbone interact. energy: -0.046
local terms energy: -202.606467
where:
bonds (distance) C4'-P energy: -38.709
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -57.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -546.155320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.155320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.155320 (E_RNA)
where:
Base-Base interactions energy: -356.673
where: short stacking energy: -166.251
Base-Backbone interact. energy: -0.477
local terms energy: -189.005666
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -52.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -477.848273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.848273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.848273 (E_RNA)
where:
Base-Base interactions energy: -291.989
where: short stacking energy: -149.329
Base-Backbone interact. energy: -1.224
local terms energy: -184.635079
where:
bonds (distance) C4'-P energy: -38.342
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -38.433
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -435.616502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.616502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.616502 (E_RNA)
where:
Base-Base interactions energy: -283.134
where: short stacking energy: -127.986
Base-Backbone interact. energy: -0.435
local terms energy: -152.047882
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -36.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -357.165172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.165172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.165172 (E_RNA)
where:
Base-Base interactions energy: -211.874
where: short stacking energy: -111.188
Base-Backbone interact. energy: 0.113
local terms energy: -145.403300
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -382.241306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.241306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.241306 (E_RNA)
where:
Base-Base interactions energy: -253.743
where: short stacking energy: -128.697
Base-Backbone interact. energy: 2.402
local terms energy: -130.900282
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -288.135146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.135146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.135146 (E_RNA)
where:
Base-Base interactions energy: -168.053
where: short stacking energy: -83.024
Base-Backbone interact. energy: -1.007
local terms energy: -119.075492
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -313.838034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.838034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.838034 (E_RNA)
where:
Base-Base interactions energy: -173.526
where: short stacking energy: -86.547
Base-Backbone interact. energy: -0.633
local terms energy: -139.678896
where:
bonds (distance) C4'-P energy: -29.367
bonds (distance) P-C4' energy: -41.179
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -307.623861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.623861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.623861 (E_RNA)
where:
Base-Base interactions energy: -180.739
where: short stacking energy: -85.768
Base-Backbone interact. energy: -0.414
local terms energy: -126.471399
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -164.606296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.606296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.606296 (E_RNA)
where:
Base-Base interactions energy: -57.993
where: short stacking energy: -48.042
Base-Backbone interact. energy: 2.218
local terms energy: -108.831451
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -583.930012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.930012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.930012 (E_RNA)
where:
Base-Base interactions energy: -378.868
where: short stacking energy: -188.320
Base-Backbone interact. energy: -0.123
local terms energy: -204.939177
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -31.975
tors. eta vs tors. theta energy: -61.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -526.375459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.375459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.375459 (E_RNA)
where:
Base-Base interactions energy: -354.841
where: short stacking energy: -157.276
Base-Backbone interact. energy: -0.676
local terms energy: -170.858905
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -47.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -424.962251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.962251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.962251 (E_RNA)
where:
Base-Base interactions energy: -271.174
where: short stacking energy: -125.930
Base-Backbone interact. energy: -1.043
local terms energy: -152.745696
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -28.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -487.251599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.251599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.251599 (E_RNA)
where:
Base-Base interactions energy: -306.646
where: short stacking energy: -149.678
Base-Backbone interact. energy: -1.561
local terms energy: -179.044598
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -49.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -445.421824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.421824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.421824 (E_RNA)
where:
Base-Base interactions energy: -275.624
where: short stacking energy: -133.389
Base-Backbone interact. energy: -0.222
local terms energy: -169.575625
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -41.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -336.388772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.388772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.388772 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -95.782
Base-Backbone interact. energy: -0.844
local terms energy: -147.171981
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -320.134050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.134050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.134050 (E_RNA)
where:
Base-Base interactions energy: -195.039
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.571
local terms energy: -124.523803
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -275.211118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.211118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.211118 (E_RNA)
where:
Base-Base interactions energy: -150.537
where: short stacking energy: -78.280
Base-Backbone interact. energy: 1.382
local terms energy: -126.055786
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -32.597
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -290.112203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.112203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.112203 (E_RNA)
where:
Base-Base interactions energy: -172.628
where: short stacking energy: -80.436
Base-Backbone interact. energy: -0.527
local terms energy: -116.956486
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -160.725361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.725361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.725361 (E_RNA)
where:
Base-Base interactions energy: -62.191
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.599
local terms energy: -97.935088
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -584.766394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.766394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.766394 (E_RNA)
where:
Base-Base interactions energy: -389.854
where: short stacking energy: -187.379
Base-Backbone interact. energy: -0.215
local terms energy: -194.697255
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -543.818867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.818867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.818867 (E_RNA)
where:
Base-Base interactions energy: -363.215
where: short stacking energy: -172.468
Base-Backbone interact. energy: -0.355
local terms energy: -180.248934
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -37.983
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -56.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -430.747302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.747302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.747302 (E_RNA)
where:
Base-Base interactions energy: -265.078
where: short stacking energy: -137.536
Base-Backbone interact. energy: -0.704
local terms energy: -164.965075
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -38.491
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -45.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -438.379366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.379366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.379366 (E_RNA)
where:
Base-Base interactions energy: -274.137
where: short stacking energy: -136.060
Base-Backbone interact. energy: -0.116
local terms energy: -164.126213
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -438.470075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.470075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.470075 (E_RNA)
where:
Base-Base interactions energy: -284.851
where: short stacking energy: -140.725
Base-Backbone interact. energy: -0.190
local terms energy: -153.428397
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -36.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -330.131372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.131372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.131372 (E_RNA)
where:
Base-Base interactions energy: -186.990
where: short stacking energy: -100.902
Base-Backbone interact. energy: -1.171
local terms energy: -141.970236
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -359.726675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.726675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.726675 (E_RNA)
where:
Base-Base interactions energy: -212.891
where: short stacking energy: -100.862
Base-Backbone interact. energy: -1.383
local terms energy: -145.453062
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -314.746839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.746839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.746839 (E_RNA)
where:
Base-Base interactions energy: -185.579
where: short stacking energy: -93.648
Base-Backbone interact. energy: -0.183
local terms energy: -128.984270
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -251.225639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.225639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.225639 (E_RNA)
where:
Base-Base interactions energy: -145.776
where: short stacking energy: -75.642
Base-Backbone interact. energy: -0.223
local terms energy: -105.226377
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -151.127335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.127335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.127335 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.471
local terms energy: -107.838922
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -594.616616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.616616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.616616 (E_RNA)
where:
Base-Base interactions energy: -390.747
where: short stacking energy: -189.576
Base-Backbone interact. energy: -0.150
local terms energy: -203.719042
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -547.387334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.387334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.387334 (E_RNA)
where:
Base-Base interactions energy: -368.875
where: short stacking energy: -166.975
Base-Backbone interact. energy: 0.427
local terms energy: -178.940063
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -48.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -453.800808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.800808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.800808 (E_RNA)
where:
Base-Base interactions energy: -283.895
where: short stacking energy: -145.058
Base-Backbone interact. energy: -0.305
local terms energy: -169.600284
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -32.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -428.917164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.917164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.917164 (E_RNA)
where:
Base-Base interactions energy: -271.836
where: short stacking energy: -132.556
Base-Backbone interact. energy: -0.400
local terms energy: -156.681350
where:
bonds (distance) C4'-P energy: -39.874
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -40.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -473.920403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.920403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.920403 (E_RNA)
where:
Base-Base interactions energy: -307.046
where: short stacking energy: -163.793
Base-Backbone interact. energy: 3.260
local terms energy: -170.135311
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: -44.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -333.693821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.693821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.693821 (E_RNA)
where:
Base-Base interactions energy: -199.554
where: short stacking energy: -102.825
Base-Backbone interact. energy: 0.272
local terms energy: -134.411724
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -341.927106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.927106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.927106 (E_RNA)
where:
Base-Base interactions energy: -192.260
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.218
local terms energy: -149.449298
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -33.045
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -308.240785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.240785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.240785 (E_RNA)
where:
Base-Base interactions energy: -178.788
where: short stacking energy: -79.209
Base-Backbone interact. energy: 2.736
local terms energy: -132.189258
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -265.281040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.281040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.281040 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.518
local terms energy: -123.790707
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -155.691644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.691644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.691644 (E_RNA)
where:
Base-Base interactions energy: -50.591
where: short stacking energy: -48.368
Base-Backbone interact. energy: -1.340
local terms energy: -103.760759
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -571.213246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.213246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.213246 (E_RNA)
where:
Base-Base interactions energy: -376.103
where: short stacking energy: -189.041
Base-Backbone interact. energy: -0.008
local terms energy: -195.101802
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -38.865
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -55.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -537.514483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.514483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.514483 (E_RNA)
where:
Base-Base interactions energy: -354.832
where: short stacking energy: -161.556
Base-Backbone interact. energy: -0.162
local terms energy: -182.520284
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -38.806
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -51.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -465.693298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.693298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.693298 (E_RNA)
where:
Base-Base interactions energy: -285.169
where: short stacking energy: -147.808
Base-Backbone interact. energy: -0.021
local terms energy: -180.503902
where:
bonds (distance) C4'-P energy: -35.933
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -436.929044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.929044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.929044 (E_RNA)
where:
Base-Base interactions energy: -276.857
where: short stacking energy: -146.380
Base-Backbone interact. energy: 0.182
local terms energy: -160.253656
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -42.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -421.322018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.322018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.322018 (E_RNA)
where:
Base-Base interactions energy: -250.430
where: short stacking energy: -131.650
Base-Backbone interact. energy: -0.455
local terms energy: -170.437128
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -357.031687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.031687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.031687 (E_RNA)
where:
Base-Base interactions energy: -209.763
where: short stacking energy: -110.758
Base-Backbone interact. energy: -0.563
local terms energy: -146.705370
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -322.268564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.268564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.268564 (E_RNA)
where:
Base-Base interactions energy: -186.667
where: short stacking energy: -98.122
Base-Backbone interact. energy: -0.557
local terms energy: -135.044406
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -275.915594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.915594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.915594 (E_RNA)
where:
Base-Base interactions energy: -139.441
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.364
local terms energy: -136.110696
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -291.203873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.203873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.203873 (E_RNA)
where:
Base-Base interactions energy: -179.031
where: short stacking energy: -89.667
Base-Backbone interact. energy: -0.374
local terms energy: -111.799209
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -153.387003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.387003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.387003 (E_RNA)
where:
Base-Base interactions energy: -48.984
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.227
local terms energy: -104.175542
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -553.546408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.546408 (E_RNA)
where:
Base-Base interactions energy: -360.387
where: short stacking energy: -166.970
Base-Backbone interact. energy: 0.693
local terms energy: -193.852670
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -34.784
flat angles C4'-P-C4' energy: -41.400
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -49.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -574.268646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.268646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.268646 (E_RNA)
where:
Base-Base interactions energy: -387.943
where: short stacking energy: -180.751
Base-Backbone interact. energy: -0.119
local terms energy: -186.206463
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -472.664722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.664722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.664722 (E_RNA)
where:
Base-Base interactions energy: -312.428
where: short stacking energy: -151.160
Base-Backbone interact. energy: 1.574
local terms energy: -161.810648
where:
bonds (distance) C4'-P energy: -33.367
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -421.082327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.082327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.082327 (E_RNA)
where:
Base-Base interactions energy: -264.059
where: short stacking energy: -136.335
Base-Backbone interact. energy: -0.292
local terms energy: -156.730646
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -34.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -416.102947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.102947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.102947 (E_RNA)
where:
Base-Base interactions energy: -259.200
where: short stacking energy: -130.320
Base-Backbone interact. energy: 0.024
local terms energy: -156.927568
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -335.378429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.378429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.378429 (E_RNA)
where:
Base-Base interactions energy: -211.122
where: short stacking energy: -106.429
Base-Backbone interact. energy: -0.373
local terms energy: -123.883567
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -315.024288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.024288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.024288 (E_RNA)
where:
Base-Base interactions energy: -189.012
where: short stacking energy: -90.450
Base-Backbone interact. energy: 0.661
local terms energy: -126.673542
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -281.871200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.871200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.871200 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.442
local terms energy: -125.166109
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -296.088828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.088828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.088828 (E_RNA)
where:
Base-Base interactions energy: -167.408
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.742
local terms energy: -127.939312
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -185.146917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.146917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.146917 (E_RNA)
where:
Base-Base interactions energy: -70.052
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.651
local terms energy: -114.443978
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: 7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -550.036452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.036452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.036452 (E_RNA)
where:
Base-Base interactions energy: -360.575
where: short stacking energy: -174.085
Base-Backbone interact. energy: -0.209
local terms energy: -189.252491
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -53.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -564.646935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.646935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.646935 (E_RNA)
where:
Base-Base interactions energy: -370.767
where: short stacking energy: -185.002
Base-Backbone interact. energy: -0.148
local terms energy: -193.731219
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -55.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -495.130140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.130140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.130140 (E_RNA)
where:
Base-Base interactions energy: -306.508
where: short stacking energy: -149.107
Base-Backbone interact. energy: -0.466
local terms energy: -188.156304
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -39.959
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -49.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -424.405851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.405851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.405851 (E_RNA)
where:
Base-Base interactions energy: -261.235
where: short stacking energy: -137.045
Base-Backbone interact. energy: 0.632
local terms energy: -163.802530
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -37.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -425.716942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.716942 (E_RNA)
where:
Base-Base interactions energy: -286.614
where: short stacking energy: -142.006
Base-Backbone interact. energy: -0.184
local terms energy: -138.919442
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -37.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -330.768291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.768291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.768291 (E_RNA)
where:
Base-Base interactions energy: -189.376
where: short stacking energy: -99.165
Base-Backbone interact. energy: -1.994
local terms energy: -139.397788
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -339.085578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.085578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.085578 (E_RNA)
where:
Base-Base interactions energy: -209.167
where: short stacking energy: -98.570
Base-Backbone interact. energy: -0.324
local terms energy: -129.594582
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -294.148825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.148825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.148825 (E_RNA)
where:
Base-Base interactions energy: -164.063
where: short stacking energy: -91.891
Base-Backbone interact. energy: -0.915
local terms energy: -129.170495
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -301.005382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.005382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.005382 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -88.240
Base-Backbone interact. energy: 0.621
local terms energy: -135.122566
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -158.808416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.808416 (E_RNA)
where:
Base-Base interactions energy: -69.136
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.846
local terms energy: -88.826463
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -573.244797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.244797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.244797 (E_RNA)
where:
Base-Base interactions energy: -378.820
where: short stacking energy: -190.299
Base-Backbone interact. energy: -0.025
local terms energy: -194.399782
where:
bonds (distance) C4'-P energy: -29.881
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -60.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -543.710121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.710121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.710121 (E_RNA)
where:
Base-Base interactions energy: -353.521
where: short stacking energy: -171.193
Base-Backbone interact. energy: -0.020
local terms energy: -190.169465
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -34.758
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -55.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -496.313655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.313655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.313655 (E_RNA)
where:
Base-Base interactions energy: -323.136
where: short stacking energy: -157.166
Base-Backbone interact. energy: 0.140
local terms energy: -173.317913
where:
bonds (distance) C4'-P energy: -28.021
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -44.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -415.711854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.711854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.711854 (E_RNA)
where:
Base-Base interactions energy: -250.769
where: short stacking energy: -129.022
Base-Backbone interact. energy: -0.800
local terms energy: -164.142552
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -30.961
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -40.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -434.601350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.601350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.601350 (E_RNA)
where:
Base-Base interactions energy: -268.266
where: short stacking energy: -121.757
Base-Backbone interact. energy: 0.691
local terms energy: -167.026952
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -42.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -360.369529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.369529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.369529 (E_RNA)
where:
Base-Base interactions energy: -223.578
where: short stacking energy: -111.001
Base-Backbone interact. energy: 1.764
local terms energy: -138.555799
where:
bonds (distance) C4'-P energy: -40.164
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -328.483714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.483714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.483714 (E_RNA)
where:
Base-Base interactions energy: -190.977
where: short stacking energy: -101.966
Base-Backbone interact. energy: -0.495
local terms energy: -137.011722
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -320.700947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.700947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.700947 (E_RNA)
where:
Base-Base interactions energy: -187.329
where: short stacking energy: -101.542
Base-Backbone interact. energy: -0.122
local terms energy: -133.249415
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -262.502074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.502074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.502074 (E_RNA)
where:
Base-Base interactions energy: -148.931
where: short stacking energy: -75.705
Base-Backbone interact. energy: -0.549
local terms energy: -113.021884
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -152.926418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.926418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.926418 (E_RNA)
where:
Base-Base interactions energy: -53.610
where: short stacking energy: -52.879
Base-Backbone interact. energy: -1.909
local terms energy: -97.407272
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -585.529409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.529409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.529409 (E_RNA)
where:
Base-Base interactions energy: -382.414
where: short stacking energy: -194.952
Base-Backbone interact. energy: -0.062
local terms energy: -203.053374
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: -55.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -504.850573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.850573 (E_RNA)
where:
Base-Base interactions energy: -314.949
where: short stacking energy: -167.147
Base-Backbone interact. energy: -0.616
local terms energy: -189.285398
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -49.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -518.704811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.704811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.704811 (E_RNA)
where:
Base-Base interactions energy: -329.056
where: short stacking energy: -149.684
Base-Backbone interact. energy: -0.398
local terms energy: -189.250499
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -45.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -448.298336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.298336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.298336 (E_RNA)
where:
Base-Base interactions energy: -287.404
where: short stacking energy: -142.934
Base-Backbone interact. energy: 0.007
local terms energy: -160.900921
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -49.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -391.069505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.069505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.069505 (E_RNA)
where:
Base-Base interactions energy: -249.271
where: short stacking energy: -118.485
Base-Backbone interact. energy: -0.185
local terms energy: -141.613215
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -357.855614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.855614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.855614 (E_RNA)
where:
Base-Base interactions energy: -222.840
where: short stacking energy: -91.113
Base-Backbone interact. energy: -0.617
local terms energy: -134.398896
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -325.841727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.841727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.841727 (E_RNA)
where:
Base-Base interactions energy: -184.662
where: short stacking energy: -88.188
Base-Backbone interact. energy: -0.152
local terms energy: -141.027170
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -314.431159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.431159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.431159 (E_RNA)
where:
Base-Base interactions energy: -182.271
where: short stacking energy: -89.319
Base-Backbone interact. energy: 0.208
local terms energy: -132.368200
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -256.542217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.542217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.542217 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.203
local terms energy: -107.843227
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -162.598951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.598951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.598951 (E_RNA)
where:
Base-Base interactions energy: -59.075
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.789
local terms energy: -102.734867
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -577.018592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.018592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.018592 (E_RNA)
where:
Base-Base interactions energy: -367.899
where: short stacking energy: -178.618
Base-Backbone interact. energy: -0.492
local terms energy: -208.627536
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -502.340444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.340444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.340444 (E_RNA)
where:
Base-Base interactions energy: -314.587
where: short stacking energy: -157.546
Base-Backbone interact. energy: -0.549
local terms energy: -187.204982
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -48.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -526.334815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.334815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.334815 (E_RNA)
where:
Base-Base interactions energy: -360.099
where: short stacking energy: -170.107
Base-Backbone interact. energy: -0.151
local terms energy: -166.084901
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -46.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -452.701468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.701468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.701468 (E_RNA)
where:
Base-Base interactions energy: -288.480
where: short stacking energy: -146.409
Base-Backbone interact. energy: -0.129
local terms energy: -164.091675
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -44.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -405.727758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.727758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.727758 (E_RNA)
where:
Base-Base interactions energy: -256.710
where: short stacking energy: -108.267
Base-Backbone interact. energy: 0.105
local terms energy: -149.122059
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -36.136
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -29.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -370.130653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.130653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.130653 (E_RNA)
where:
Base-Base interactions energy: -215.162
where: short stacking energy: -96.719
Base-Backbone interact. energy: -1.528
local terms energy: -153.441081
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -39.231
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -337.810875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.810875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.810875 (E_RNA)
where:
Base-Base interactions energy: -193.754
where: short stacking energy: -90.968
Base-Backbone interact. energy: 0.731
local terms energy: -144.787373
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -307.112637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.112637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.112637 (E_RNA)
where:
Base-Base interactions energy: -185.525
where: short stacking energy: -95.459
Base-Backbone interact. energy: 5.891
local terms energy: -127.478630
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -316.552789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.552789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.552789 (E_RNA)
where:
Base-Base interactions energy: -181.651
where: short stacking energy: -95.819
Base-Backbone interact. energy: 1.583
local terms energy: -136.485559
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -174.531385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.531385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.531385 (E_RNA)
where:
Base-Base interactions energy: -63.132
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.131
local terms energy: -111.268146
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -587.984771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.984771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.984771 (E_RNA)
where:
Base-Base interactions energy: -382.575
where: short stacking energy: -193.521
Base-Backbone interact. energy: 3.096
local terms energy: -208.505414
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -42.434
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -548.870860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.870860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.870860 (E_RNA)
where:
Base-Base interactions energy: -349.225
where: short stacking energy: -162.535
Base-Backbone interact. energy: -0.033
local terms energy: -199.613496
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -30.038
tors. eta vs tors. theta energy: -53.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -482.801770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.801770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.801770 (E_RNA)
where:
Base-Base interactions energy: -307.628
where: short stacking energy: -159.397
Base-Backbone interact. energy: 0.886
local terms energy: -176.059876
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -35.749
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -48.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -407.311897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.311897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.311897 (E_RNA)
where:
Base-Base interactions energy: -247.897
where: short stacking energy: -127.128
Base-Backbone interact. energy: -0.233
local terms energy: -159.182454
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -439.742857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.742857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.742857 (E_RNA)
where:
Base-Base interactions energy: -278.081
where: short stacking energy: -137.595
Base-Backbone interact. energy: -0.616
local terms energy: -161.045578
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -39.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -380.808161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.808161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.808161 (E_RNA)
where:
Base-Base interactions energy: -229.479
where: short stacking energy: -109.316
Base-Backbone interact. energy: -0.566
local terms energy: -150.763311
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -337.335103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.335103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.335103 (E_RNA)
where:
Base-Base interactions energy: -201.114
where: short stacking energy: -110.842
Base-Backbone interact. energy: 0.002
local terms energy: -136.223279
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -309.600843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.600843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.600843 (E_RNA)
where:
Base-Base interactions energy: -194.836
where: short stacking energy: -97.195
Base-Backbone interact. energy: 0.749
local terms energy: -115.514153
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -302.317907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.317907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.317907 (E_RNA)
where:
Base-Base interactions energy: -179.231
where: short stacking energy: -85.026
Base-Backbone interact. energy: 1.011
local terms energy: -124.097385
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -175.982893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.982893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.982893 (E_RNA)
where:
Base-Base interactions energy: -74.591
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.248
local terms energy: -101.143288
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -567.759237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.759237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.759237 (E_RNA)
where:
Base-Base interactions energy: -374.212
where: short stacking energy: -185.176
Base-Backbone interact. energy: -0.374
local terms energy: -193.173335
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -51.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -549.193346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.193346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.193346 (E_RNA)
where:
Base-Base interactions energy: -366.081
where: short stacking energy: -180.040
Base-Backbone interact. energy: -0.593
local terms energy: -182.519886
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -54.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -462.963851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.963851 (E_RNA)
where:
Base-Base interactions energy: -306.193
where: short stacking energy: -161.720
Base-Backbone interact. energy: -0.303
local terms energy: -156.468149
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -428.631695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.631695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.631695 (E_RNA)
where:
Base-Base interactions energy: -263.836
where: short stacking energy: -136.055
Base-Backbone interact. energy: -0.256
local terms energy: -164.539471
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -48.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -431.380086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.380086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.380086 (E_RNA)
where:
Base-Base interactions energy: -280.143
where: short stacking energy: -122.085
Base-Backbone interact. energy: -0.706
local terms energy: -150.531994
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -35.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -395.034607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.034607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.034607 (E_RNA)
where:
Base-Base interactions energy: -249.707
where: short stacking energy: -124.773
Base-Backbone interact. energy: -1.388
local terms energy: -143.940290
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -321.701703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.701703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.701703 (E_RNA)
where:
Base-Base interactions energy: -183.073
where: short stacking energy: -96.036
Base-Backbone interact. energy: -0.126
local terms energy: -138.502998
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -23.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -329.261956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.261956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.261956 (E_RNA)
where:
Base-Base interactions energy: -206.842
where: short stacking energy: -105.941
Base-Backbone interact. energy: -0.275
local terms energy: -122.144465
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -26.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -310.866550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.866550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.866550 (E_RNA)
where:
Base-Base interactions energy: -189.043
where: short stacking energy: -95.413
Base-Backbone interact. energy: -0.138
local terms energy: -121.685660
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -35.781
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -154.965784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.965784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.965784 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -41.155
Base-Backbone interact. energy: 0.759
local terms energy: -113.786656
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -577.713988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.713988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.713988 (E_RNA)
where:
Base-Base interactions energy: -378.284
where: short stacking energy: -188.512
Base-Backbone interact. energy: -0.223
local terms energy: -199.207446
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -31.860
tors. eta vs tors. theta energy: -58.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -545.700324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.700324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.700324 (E_RNA)
where:
Base-Base interactions energy: -358.401
where: short stacking energy: -162.044
Base-Backbone interact. energy: -0.348
local terms energy: -186.951147
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -57.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -454.661815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.661815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.661815 (E_RNA)
where:
Base-Base interactions energy: -286.703
where: short stacking energy: -147.514
Base-Backbone interact. energy: -0.185
local terms energy: -167.774196
where:
bonds (distance) C4'-P energy: -40.413
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -41.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -420.401158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.401158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.401158 (E_RNA)
where:
Base-Base interactions energy: -264.871
where: short stacking energy: -143.292
Base-Backbone interact. energy: -0.247
local terms energy: -155.283275
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -39.018
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -41.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -437.471633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.471633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.471633 (E_RNA)
where:
Base-Base interactions energy: -269.255
where: short stacking energy: -137.687
Base-Backbone interact. energy: -0.864
local terms energy: -167.353182
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -44.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -378.171120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.171120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.171120 (E_RNA)
where:
Base-Base interactions energy: -237.671
where: short stacking energy: -113.455
Base-Backbone interact. energy: -0.402
local terms energy: -140.098084
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -310.591570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.591570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.591570 (E_RNA)
where:
Base-Base interactions energy: -175.294
where: short stacking energy: -88.088
Base-Backbone interact. energy: 0.096
local terms energy: -135.393562
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -32.939
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -320.331819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.331819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.331819 (E_RNA)
where:
Base-Base interactions energy: -181.274
where: short stacking energy: -97.727
Base-Backbone interact. energy: -0.171
local terms energy: -138.886880
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -311.150246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.150246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.150246 (E_RNA)
where:
Base-Base interactions energy: -184.153
where: short stacking energy: -96.028
Base-Backbone interact. energy: -0.082
local terms energy: -126.914859
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -152.217881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.217881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.217881 (E_RNA)
where:
Base-Base interactions energy: -55.204
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.971
local terms energy: -96.043227
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: 8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -584.118189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.118189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.118189 (E_RNA)
where:
Base-Base interactions energy: -385.048
where: short stacking energy: -193.672
Base-Backbone interact. energy: 0.417
local terms energy: -199.486506
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -42.071
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -60.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -535.647632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.647632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.647632 (E_RNA)
where:
Base-Base interactions energy: -352.802
where: short stacking energy: -172.355
Base-Backbone interact. energy: -0.692
local terms energy: -182.153084
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -50.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -485.315363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.315363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.315363 (E_RNA)
where:
Base-Base interactions energy: -310.305
where: short stacking energy: -149.835
Base-Backbone interact. energy: -0.015
local terms energy: -174.995319
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -47.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -421.103944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.103944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.103944 (E_RNA)
where:
Base-Base interactions energy: -261.009
where: short stacking energy: -130.276
Base-Backbone interact. energy: -0.170
local terms energy: -159.925153
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -36.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -457.877386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.877386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.877386 (E_RNA)
where:
Base-Base interactions energy: -291.452
where: short stacking energy: -137.713
Base-Backbone interact. energy: -1.037
local terms energy: -165.388098
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -41.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -371.729239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.729239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.729239 (E_RNA)
where:
Base-Base interactions energy: -222.666
where: short stacking energy: -97.337
Base-Backbone interact. energy: -0.512
local terms energy: -148.551582
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -335.458033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.458033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.458033 (E_RNA)
where:
Base-Base interactions energy: -183.588
where: short stacking energy: -94.886
Base-Backbone interact. energy: -0.625
local terms energy: -151.245211
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -328.137456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.137456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.137456 (E_RNA)
where:
Base-Base interactions energy: -197.763
where: short stacking energy: -99.718
Base-Backbone interact. energy: 1.253
local terms energy: -131.626973
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -300.901764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.901764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.901764 (E_RNA)
where:
Base-Base interactions energy: -185.758
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.592
local terms energy: -114.551048
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -1.861
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -166.875890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.875890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.875890 (E_RNA)
where:
Base-Base interactions energy: -49.214
where: short stacking energy: -43.296
Base-Backbone interact. energy: 3.428
local terms energy: -121.089967
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -573.334764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.334764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.334764 (E_RNA)
where:
Base-Base interactions energy: -380.605
where: short stacking energy: -188.344
Base-Backbone interact. energy: -0.304
local terms energy: -192.425477
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -58.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -537.790685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.790685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.790685 (E_RNA)
where:
Base-Base interactions energy: -358.044
where: short stacking energy: -166.853
Base-Backbone interact. energy: -1.052
local terms energy: -178.694256
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -485.098521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.098521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.098521 (E_RNA)
where:
Base-Base interactions energy: -316.336
where: short stacking energy: -171.893
Base-Backbone interact. energy: -0.135
local terms energy: -168.627028
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -41.604
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -457.621065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.621065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.621065 (E_RNA)
where:
Base-Base interactions energy: -289.208
where: short stacking energy: -149.855
Base-Backbone interact. energy: -0.909
local terms energy: -167.504548
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -45.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -403.438607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.438607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.438607 (E_RNA)
where:
Base-Base interactions energy: -249.724
where: short stacking energy: -120.197
Base-Backbone interact. energy: -0.243
local terms energy: -153.471590
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -41.084
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -36.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -392.930924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.930924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.930924 (E_RNA)
where:
Base-Base interactions energy: -249.791
where: short stacking energy: -119.612
Base-Backbone interact. energy: -0.330
local terms energy: -142.809994
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -29.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -314.964082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.964082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.964082 (E_RNA)
where:
Base-Base interactions energy: -180.305
where: short stacking energy: -95.915
Base-Backbone interact. energy: 4.203
local terms energy: -138.861320
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -38.137
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -308.590035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.590035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.590035 (E_RNA)
where:
Base-Base interactions energy: -185.190
where: short stacking energy: -92.514
Base-Backbone interact. energy: 1.133
local terms energy: -124.532428
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -292.791946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.791946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.791946 (E_RNA)
where:
Base-Base interactions energy: -164.337
where: short stacking energy: -76.070
Base-Backbone interact. energy: -0.492
local terms energy: -127.962778
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -157.695523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.695523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.695523 (E_RNA)
where:
Base-Base interactions energy: -61.227
where: short stacking energy: -44.429
Base-Backbone interact. energy: -0.387
local terms energy: -96.082212
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -585.011062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.011062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.011062 (E_RNA)
where:
Base-Base interactions energy: -377.974
where: short stacking energy: -183.526
Base-Backbone interact. energy: -0.037
local terms energy: -206.999641
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -43.434
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -57.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -521.539029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.539029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.539029 (E_RNA)
where:
Base-Base interactions energy: -337.048
where: short stacking energy: -158.068
Base-Backbone interact. energy: 1.823
local terms energy: -186.314301
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -46.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -477.439305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.439305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.439305 (E_RNA)
where:
Base-Base interactions energy: -313.576
where: short stacking energy: -146.307
Base-Backbone interact. energy: 0.338
local terms energy: -164.202091
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -36.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -444.644954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.644954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.644954 (E_RNA)
where:
Base-Base interactions energy: -272.917
where: short stacking energy: -129.492
Base-Backbone interact. energy: -0.149
local terms energy: -171.579410
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -399.490946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.490946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.490946 (E_RNA)
where:
Base-Base interactions energy: -258.254
where: short stacking energy: -120.383
Base-Backbone interact. energy: 4.418
local terms energy: -145.655029
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -391.500313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.500313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.500313 (E_RNA)
where:
Base-Base interactions energy: -242.090
where: short stacking energy: -103.280
Base-Backbone interact. energy: 1.872
local terms energy: -151.282507
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -29.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -304.569518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.569518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.569518 (E_RNA)
where:
Base-Base interactions energy: -165.893
where: short stacking energy: -87.462
Base-Backbone interact. energy: 0.439
local terms energy: -139.115241
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -305.270067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.270067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.270067 (E_RNA)
where:
Base-Base interactions energy: -174.740
where: short stacking energy: -89.801
Base-Backbone interact. energy: -0.263
local terms energy: -130.267744
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -313.599335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.599335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.599335 (E_RNA)
where:
Base-Base interactions energy: -189.374
where: short stacking energy: -90.104
Base-Backbone interact. energy: -1.144
local terms energy: -123.081177
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -162.737515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.737515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.737515 (E_RNA)
where:
Base-Base interactions energy: -64.118
where: short stacking energy: -54.569
Base-Backbone interact. energy: -2.254
local terms energy: -96.365758
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -583.402343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.402343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.402343 (E_RNA)
where:
Base-Base interactions energy: -383.422
where: short stacking energy: -188.965
Base-Backbone interact. energy: -0.006
local terms energy: -199.973990
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -34.968
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: -57.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -517.194600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.194600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.194600 (E_RNA)
where:
Base-Base interactions energy: -328.328
where: short stacking energy: -149.900
Base-Backbone interact. energy: -0.116
local terms energy: -188.750260
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -50.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -498.781795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.781795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.781795 (E_RNA)
where:
Base-Base interactions energy: -317.704
where: short stacking energy: -160.115
Base-Backbone interact. energy: -0.113
local terms energy: -180.964129
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -32.007
tors. eta vs tors. theta energy: -53.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -453.411517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.411517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.411517 (E_RNA)
where:
Base-Base interactions energy: -281.808
where: short stacking energy: -141.987
Base-Backbone interact. energy: -0.039
local terms energy: -171.564535
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -401.762279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.762279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.762279 (E_RNA)
where:
Base-Base interactions energy: -255.024
where: short stacking energy: -118.408
Base-Backbone interact. energy: -1.308
local terms energy: -145.430266
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -409.792848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.792848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.792848 (E_RNA)
where:
Base-Base interactions energy: -257.329
where: short stacking energy: -117.632
Base-Backbone interact. energy: -0.432
local terms energy: -152.031868
where:
bonds (distance) C4'-P energy: -32.297
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -38.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -322.375711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.375711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.375711 (E_RNA)
where:
Base-Base interactions energy: -190.751
where: short stacking energy: -99.868
Base-Backbone interact. energy: 1.168
local terms energy: -132.792117
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -289.835631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.835631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.835631 (E_RNA)
where:
Base-Base interactions energy: -172.320
where: short stacking energy: -91.866
Base-Backbone interact. energy: 0.564
local terms energy: -118.080184
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -288.036380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.036380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.036380 (E_RNA)
where:
Base-Base interactions energy: -176.966
where: short stacking energy: -87.605
Base-Backbone interact. energy: 1.812
local terms energy: -112.882111
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -189.448438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.448438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.448438 (E_RNA)
where:
Base-Base interactions energy: -102.560
where: short stacking energy: -44.420
Base-Backbone interact. energy: 2.137
local terms energy: -89.025918
where:
bonds (distance) C4'-P energy: -29.077
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: 9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -583.727411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.727411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.727411 (E_RNA)
where:
Base-Base interactions energy: -385.672
where: short stacking energy: -193.545
Base-Backbone interact. energy: -0.245
local terms energy: -197.809734
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -61.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -530.830512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.830512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.830512 (E_RNA)
where:
Base-Base interactions energy: -343.090
where: short stacking energy: -169.940
Base-Backbone interact. energy: 1.516
local terms energy: -189.255994
where:
bonds (distance) C4'-P energy: -37.332
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -485.675406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.675406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.675406 (E_RNA)
where:
Base-Base interactions energy: -311.846
where: short stacking energy: -159.520
Base-Backbone interact. energy: -0.262
local terms energy: -173.567147
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -485.803005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.803005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.803005 (E_RNA)
where:
Base-Base interactions energy: -320.536
where: short stacking energy: -162.026
Base-Backbone interact. energy: -0.058
local terms energy: -165.209182
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -48.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -400.827338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.827338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.827338 (E_RNA)
where:
Base-Base interactions energy: -252.278
where: short stacking energy: -120.799
Base-Backbone interact. energy: -1.004
local terms energy: -147.545947
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -393.844543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.844543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.844543 (E_RNA)
where:
Base-Base interactions energy: -242.093
where: short stacking energy: -129.860
Base-Backbone interact. energy: -0.162
local terms energy: -151.589723
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -35.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -335.737604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.737604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.737604 (E_RNA)
where:
Base-Base interactions energy: -205.455
where: short stacking energy: -111.307
Base-Backbone interact. energy: -0.256
local terms energy: -130.026471
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -284.453772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.453772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.453772 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -80.269
Base-Backbone interact. energy: -0.603
local terms energy: -118.169831
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -317.533268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.533268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.533268 (E_RNA)
where:
Base-Base interactions energy: -200.834
where: short stacking energy: -90.236
Base-Backbone interact. energy: -1.024
local terms energy: -115.674564
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -210.771747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.771747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.771747 (E_RNA)
where:
Base-Base interactions energy: -98.292
where: short stacking energy: -56.272
Base-Backbone interact. energy: 0.990
local terms energy: -113.469664
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -583.916125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.916125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.916125 (E_RNA)
where:
Base-Base interactions energy: -377.217
where: short stacking energy: -181.336
Base-Backbone interact. energy: -0.132
local terms energy: -206.567638
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -43.218
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -63.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -500.783524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.783524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.783524 (E_RNA)
where:
Base-Base interactions energy: -316.351
where: short stacking energy: -157.719
Base-Backbone interact. energy: 0.621
local terms energy: -185.053776
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -46.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -534.461512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.461512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.461512 (E_RNA)
where:
Base-Base interactions energy: -352.150
where: short stacking energy: -179.375
Base-Backbone interact. energy: -0.105
local terms energy: -182.206831
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -476.506833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.506833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.506833 (E_RNA)
where:
Base-Base interactions energy: -306.234
where: short stacking energy: -134.653
Base-Backbone interact. energy: -0.411
local terms energy: -169.861818
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -35.675
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -43.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -385.423536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.423536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.423536 (E_RNA)
where:
Base-Base interactions energy: -241.053
where: short stacking energy: -116.647
Base-Backbone interact. energy: -1.370
local terms energy: -143.000511
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -29.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -398.394362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.394362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.394362 (E_RNA)
where:
Base-Base interactions energy: -254.942
where: short stacking energy: -122.873
Base-Backbone interact. energy: -0.160
local terms energy: -143.293308
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -32.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -322.594200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.594200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.594200 (E_RNA)
where:
Base-Base interactions energy: -184.637
where: short stacking energy: -93.521
Base-Backbone interact. energy: -0.494
local terms energy: -137.462976
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -303.337627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.337627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.337627 (E_RNA)
where:
Base-Base interactions energy: -174.781
where: short stacking energy: -90.534
Base-Backbone interact. energy: -0.636
local terms energy: -127.921144
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -291.590727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.590727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.590727 (E_RNA)
where:
Base-Base interactions energy: -172.964
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.670
local terms energy: -117.957341
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -232.083020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.083020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.083020 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -60.833
Base-Backbone interact. energy: 0.069
local terms energy: -109.140112
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -572.991186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.991186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.991186 (E_RNA)
where:
Base-Base interactions energy: -387.829
where: short stacking energy: -181.423
Base-Backbone interact. energy: -0.034
local terms energy: -185.128033
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: -55.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -502.990263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.990263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.990263 (E_RNA)
where:
Base-Base interactions energy: -316.582
where: short stacking energy: -167.378
Base-Backbone interact. energy: -0.933
local terms energy: -185.475762
where:
bonds (distance) C4'-P energy: -37.360
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -48.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -517.972541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.972541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.972541 (E_RNA)
where:
Base-Base interactions energy: -337.272
where: short stacking energy: -152.652
Base-Backbone interact. energy: 0.056
local terms energy: -180.756239
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -39.878
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -490.194136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.194136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.194136 (E_RNA)
where:
Base-Base interactions energy: -319.469
where: short stacking energy: -157.081
Base-Backbone interact. energy: -0.263
local terms energy: -170.461653
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -46.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -408.300377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.300377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.300377 (E_RNA)
where:
Base-Base interactions energy: -249.650
where: short stacking energy: -128.720
Base-Backbone interact. energy: -2.002
local terms energy: -156.647739
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -36.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -380.034655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.034655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.034655 (E_RNA)
where:
Base-Base interactions energy: -241.422
where: short stacking energy: -111.031
Base-Backbone interact. energy: -0.920
local terms energy: -137.692047
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -335.418394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.418394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.418394 (E_RNA)
where:
Base-Base interactions energy: -193.299
where: short stacking energy: -101.161
Base-Backbone interact. energy: -0.300
local terms energy: -141.819345
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -300.045794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.045794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.045794 (E_RNA)
where:
Base-Base interactions energy: -177.545
where: short stacking energy: -85.132
Base-Backbone interact. energy: -0.974
local terms energy: -121.526101
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -265.890378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.890378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.890378 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -77.478
Base-Backbone interact. energy: -0.731
local terms energy: -109.906685
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -274.529792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.529792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.529792 (E_RNA)
where:
Base-Base interactions energy: -148.900
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.445
local terms energy: -125.185118
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -575.890559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.890559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.890559 (E_RNA)
where:
Base-Base interactions energy: -381.254
where: short stacking energy: -180.942
Base-Backbone interact. energy: -0.018
local terms energy: -194.619262
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -40.865
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -55.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -516.728999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.728999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.728999 (E_RNA)
where:
Base-Base interactions energy: -341.381
where: short stacking energy: -163.719
Base-Backbone interact. energy: -0.468
local terms energy: -174.880414
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -474.990008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.990008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.990008 (E_RNA)
where:
Base-Base interactions energy: -305.811
where: short stacking energy: -143.103
Base-Backbone interact. energy: -2.460
local terms energy: -166.719402
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -39.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -470.920798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.920798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.920798 (E_RNA)
where:
Base-Base interactions energy: -305.806
where: short stacking energy: -148.718
Base-Backbone interact. energy: -0.393
local terms energy: -164.721681
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -45.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -403.431997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.431997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.431997 (E_RNA)
where:
Base-Base interactions energy: -246.022
where: short stacking energy: -122.706
Base-Backbone interact. energy: 0.232
local terms energy: -157.642342
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -31.519
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -35.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -383.779529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.779529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.779529 (E_RNA)
where:
Base-Base interactions energy: -228.316
where: short stacking energy: -108.484
Base-Backbone interact. energy: -1.441
local terms energy: -154.022572
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -329.484646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.484646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.484646 (E_RNA)
where:
Base-Base interactions energy: -190.938
where: short stacking energy: -104.972
Base-Backbone interact. energy: -1.225
local terms energy: -137.321979
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -298.099661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.099661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.099661 (E_RNA)
where:
Base-Base interactions energy: -183.875
where: short stacking energy: -98.970
Base-Backbone interact. energy: -0.124
local terms energy: -114.100923
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -299.452653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.452653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.452653 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.179
local terms energy: -130.680409
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -246.105752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.105752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.105752 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.562
local terms energy: -101.362488
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -588.914510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.914510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.914510 (E_RNA)
where:
Base-Base interactions energy: -390.811
where: short stacking energy: -181.276
Base-Backbone interact. energy: -0.015
local terms energy: -198.088482
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -60.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -535.815143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.815143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.815143 (E_RNA)
where:
Base-Base interactions energy: -354.992
where: short stacking energy: -161.549
Base-Backbone interact. energy: -0.284
local terms energy: -180.538785
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -47.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -503.945529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.945529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.945529 (E_RNA)
where:
Base-Base interactions energy: -326.730
where: short stacking energy: -161.736
Base-Backbone interact. energy: 1.396
local terms energy: -178.611745
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -52.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -470.992694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.992694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.992694 (E_RNA)
where:
Base-Base interactions energy: -292.798
where: short stacking energy: -137.435
Base-Backbone interact. energy: -0.435
local terms energy: -177.759494
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -48.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -407.560918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.560918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.560918 (E_RNA)
where:
Base-Base interactions energy: -254.274
where: short stacking energy: -132.452
Base-Backbone interact. energy: 0.611
local terms energy: -153.897585
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -36.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -383.592573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.592573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.592573 (E_RNA)
where:
Base-Base interactions energy: -237.716
where: short stacking energy: -101.605
Base-Backbone interact. energy: -0.460
local terms energy: -145.416817
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -331.063912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.063912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.063912 (E_RNA)
where:
Base-Base interactions energy: -194.941
where: short stacking energy: -103.492
Base-Backbone interact. energy: -1.122
local terms energy: -135.000469
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -299.281997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.281997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.281997 (E_RNA)
where:
Base-Base interactions energy: -174.065
where: short stacking energy: -92.419
Base-Backbone interact. energy: 1.979
local terms energy: -127.195388
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -268.840694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.840694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.840694 (E_RNA)
where:
Base-Base interactions energy: -149.071
where: short stacking energy: -79.279
Base-Backbone interact. energy: -0.308
local terms energy: -119.461844
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -32.484
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -255.618639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.618639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.618639 (E_RNA)
where:
Base-Base interactions energy: -122.340
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.554
local terms energy: -132.724771
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -581.474201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.474201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.474201 (E_RNA)
where:
Base-Base interactions energy: -384.368
where: short stacking energy: -185.681
Base-Backbone interact. energy: -0.089
local terms energy: -197.016661
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -60.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -540.221059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.221059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.221059 (E_RNA)
where:
Base-Base interactions energy: -356.455
where: short stacking energy: -160.038
Base-Backbone interact. energy: -0.394
local terms energy: -183.372707
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -30.307
tors. eta vs tors. theta energy: -48.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -503.549244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.549244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.549244 (E_RNA)
where:
Base-Base interactions energy: -332.167
where: short stacking energy: -173.413
Base-Backbone interact. energy: -0.443
local terms energy: -170.938772
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -36.506
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -48.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -472.890592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.890592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.890592 (E_RNA)
where:
Base-Base interactions energy: -300.014
where: short stacking energy: -149.569
Base-Backbone interact. energy: -0.274
local terms energy: -172.602408
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -46.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -424.165132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.165132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.165132 (E_RNA)
where:
Base-Base interactions energy: -254.627
where: short stacking energy: -137.358
Base-Backbone interact. energy: -0.182
local terms energy: -169.356750
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -39.787
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -389.787081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.787081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.787081 (E_RNA)
where:
Base-Base interactions energy: -240.731
where: short stacking energy: -108.899
Base-Backbone interact. energy: -1.464
local terms energy: -147.592008
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -329.683492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.683492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.683492 (E_RNA)
where:
Base-Base interactions energy: -186.204
where: short stacking energy: -88.193
Base-Backbone interact. energy: -0.188
local terms energy: -143.290965
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -297.002017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.002017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.002017 (E_RNA)
where:
Base-Base interactions energy: -172.100
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.069
local terms energy: -124.832755
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -331.893990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.893990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.893990 (E_RNA)
where:
Base-Base interactions energy: -192.467
where: short stacking energy: -83.787
Base-Backbone interact. energy: -0.571
local terms energy: -138.855660
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -301.052128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.052128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.052128 (E_RNA)
where:
Base-Base interactions energy: -187.718
where: short stacking energy: -90.510
Base-Backbone interact. energy: -0.240
local terms energy: -113.094221
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -597.991219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.991219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.991219 (E_RNA)
where:
Base-Base interactions energy: -405.768
where: short stacking energy: -201.066
Base-Backbone interact. energy: -0.018
local terms energy: -192.204872
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -40.016
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -58.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -538.880393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.880393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.880393 (E_RNA)
where:
Base-Base interactions energy: -359.732
where: short stacking energy: -154.618
Base-Backbone interact. energy: -0.581
local terms energy: -178.567206
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -500.545969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.545969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.545969 (E_RNA)
where:
Base-Base interactions energy: -323.564
where: short stacking energy: -162.107
Base-Backbone interact. energy: -0.674
local terms energy: -176.307778
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -35.491
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -51.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -472.079372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.079372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.079372 (E_RNA)
where:
Base-Base interactions energy: -298.313
where: short stacking energy: -151.233
Base-Backbone interact. energy: 0.117
local terms energy: -173.883196
where:
bonds (distance) C4'-P energy: -35.217
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -48.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -407.395885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.395885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.395885 (E_RNA)
where:
Base-Base interactions energy: -248.695
where: short stacking energy: -113.884
Base-Backbone interact. energy: 0.010
local terms energy: -158.710595
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -26.967
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -373.264359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.264359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.264359 (E_RNA)
where:
Base-Base interactions energy: -224.810
where: short stacking energy: -106.548
Base-Backbone interact. energy: 0.820
local terms energy: -149.273703
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -37.857
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -332.292951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.292951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.292951 (E_RNA)
where:
Base-Base interactions energy: -191.367
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.184
local terms energy: -140.742060
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -317.666865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.666865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.666865 (E_RNA)
where:
Base-Base interactions energy: -185.956
where: short stacking energy: -91.374
Base-Backbone interact. energy: 2.360
local terms energy: -134.070521
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -336.924477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.924477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.924477 (E_RNA)
where:
Base-Base interactions energy: -211.777
where: short stacking energy: -91.564
Base-Backbone interact. energy: -0.336
local terms energy: -124.810749
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -289.212212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.212212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.212212 (E_RNA)
where:
Base-Base interactions energy: -154.121
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.460
local terms energy: -134.630950
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -590.509919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.509919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.509919 (E_RNA)
where:
Base-Base interactions energy: -388.810
where: short stacking energy: -189.742
Base-Backbone interact. energy: -0.009
local terms energy: -201.690158
where:
bonds (distance) C4'-P energy: -38.887
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -44.083
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -61.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -520.440450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.440450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.440450 (E_RNA)
where:
Base-Base interactions energy: -332.179
where: short stacking energy: -166.998
Base-Backbone interact. energy: -0.005
local terms energy: -188.255940
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -40.299
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -52.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -533.657903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.657903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.657903 (E_RNA)
where:
Base-Base interactions energy: -343.793
where: short stacking energy: -153.896
Base-Backbone interact. energy: -0.200
local terms energy: -189.665508
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -51.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -438.189318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.189318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.189318 (E_RNA)
where:
Base-Base interactions energy: -275.325
where: short stacking energy: -133.253
Base-Backbone interact. energy: -0.762
local terms energy: -162.101751
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -37.985
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -35.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -400.244980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.244980 (E_RNA)
where:
Base-Base interactions energy: -254.513
where: short stacking energy: -113.834
Base-Backbone interact. energy: 2.152
local terms energy: -147.883419
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -365.147514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.147514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.147514 (E_RNA)
where:
Base-Base interactions energy: -223.571
where: short stacking energy: -89.187
Base-Backbone interact. energy: -0.432
local terms energy: -141.143853
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -27.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -354.024104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.024104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.024104 (E_RNA)
where:
Base-Base interactions energy: -219.958
where: short stacking energy: -113.595
Base-Backbone interact. energy: 0.244
local terms energy: -134.309757
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -316.961996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.961996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.961996 (E_RNA)
where:
Base-Base interactions energy: -179.151
where: short stacking energy: -91.212
Base-Backbone interact. energy: -0.508
local terms energy: -137.302495
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -37.182
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -302.792949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.792949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.792949 (E_RNA)
where:
Base-Base interactions energy: -168.115
where: short stacking energy: -80.147
Base-Backbone interact. energy: -1.080
local terms energy: -133.598160
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -35.592
flat angles C4'-P-C4' energy: -34.111
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -287.436513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.436513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.436513 (E_RNA)
where:
Base-Base interactions energy: -160.775
where: short stacking energy: -79.871
Base-Backbone interact. energy: -0.518
local terms energy: -126.143591
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -578.640189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.640189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.640189 (E_RNA)
where:
Base-Base interactions energy: -386.523
where: short stacking energy: -189.710
Base-Backbone interact. energy: -0.225
local terms energy: -191.891888
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -57.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -533.062009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.062009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.062009 (E_RNA)
where:
Base-Base interactions energy: -352.285
where: short stacking energy: -174.634
Base-Backbone interact. energy: -1.236
local terms energy: -179.540776
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -50.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -528.051417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.051417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.051417 (E_RNA)
where:
Base-Base interactions energy: -335.040
where: short stacking energy: -154.777
Base-Backbone interact. energy: -0.146
local terms energy: -192.865810
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -50.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -453.331363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.331363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.331363 (E_RNA)
where:
Base-Base interactions energy: -287.199
where: short stacking energy: -143.653
Base-Backbone interact. energy: -0.258
local terms energy: -165.874038
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -40.394
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -44.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -384.601624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.601624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.601624 (E_RNA)
where:
Base-Base interactions energy: -229.341
where: short stacking energy: -111.119
Base-Backbone interact. energy: -0.293
local terms energy: -154.967987
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -393.231375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.231375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.231375 (E_RNA)
where:
Base-Base interactions energy: -250.208
where: short stacking energy: -128.981
Base-Backbone interact. energy: 1.271
local terms energy: -144.293862
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -35.128
flat angles C4'-P-C4' energy: -33.269
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -326.053010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.053010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.053010 (E_RNA)
where:
Base-Base interactions energy: -191.320
where: short stacking energy: -97.271
Base-Backbone interact. energy: 1.049
local terms energy: -135.782656
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -316.887982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.887982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.887982 (E_RNA)
where:
Base-Base interactions energy: -184.443
where: short stacking energy: -92.404
Base-Backbone interact. energy: 1.676
local terms energy: -134.121434
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -292.233170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.233170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.233170 (E_RNA)
where:
Base-Base interactions energy: -165.660
where: short stacking energy: -75.779
Base-Backbone interact. energy: 0.968
local terms energy: -127.540827
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -293.334387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.334387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.334387 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -79.436
Base-Backbone interact. energy: -0.173
local terms energy: -114.655683
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -578.512106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.512106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.512106 (E_RNA)
where:
Base-Base interactions energy: -380.058
where: short stacking energy: -188.120
Base-Backbone interact. energy: -0.455
local terms energy: -197.999003
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -43.156
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -60.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -532.088412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.088412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.088412 (E_RNA)
where:
Base-Base interactions energy: -351.908
where: short stacking energy: -154.262
Base-Backbone interact. energy: -0.167
local terms energy: -180.013375
where:
bonds (distance) C4'-P energy: -38.288
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -37.726
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -48.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -511.598198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.598198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.598198 (E_RNA)
where:
Base-Base interactions energy: -336.743
where: short stacking energy: -154.449
Base-Backbone interact. energy: 1.098
local terms energy: -175.953013
where:
bonds (distance) C4'-P energy: -27.225
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -51.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -453.115845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.115845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.115845 (E_RNA)
where:
Base-Base interactions energy: -288.292
where: short stacking energy: -138.188
Base-Backbone interact. energy: -0.279
local terms energy: -164.545610
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -35.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -390.805531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.805531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.805531 (E_RNA)
where:
Base-Base interactions energy: -234.444
where: short stacking energy: -122.475
Base-Backbone interact. energy: -0.515
local terms energy: -155.846532
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -39.073
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -363.290992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.290992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.290992 (E_RNA)
where:
Base-Base interactions energy: -224.828
where: short stacking energy: -107.828
Base-Backbone interact. energy: 0.508
local terms energy: -138.971254
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -312.926931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.926931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.926931 (E_RNA)
where:
Base-Base interactions energy: -189.935
where: short stacking energy: -99.191
Base-Backbone interact. energy: -0.457
local terms energy: -122.535153
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -279.100833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.100833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.100833 (E_RNA)
where:
Base-Base interactions energy: -167.177
where: short stacking energy: -82.228
Base-Backbone interact. energy: -0.365
local terms energy: -111.559499
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -308.020058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.020058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.020058 (E_RNA)
where:
Base-Base interactions energy: -185.942
where: short stacking energy: -96.889
Base-Backbone interact. energy: -0.259
local terms energy: -121.819255
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -313.817401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.817401 (E_RNA)
where:
Base-Base interactions energy: -190.941
where: short stacking energy: -100.644
Base-Backbone interact. energy: -0.427
local terms energy: -122.449049
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -595.648641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.648641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.648641 (E_RNA)
where:
Base-Base interactions energy: -404.969
where: short stacking energy: -198.436
Base-Backbone interact. energy: -0.052
local terms energy: -190.627222
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -57.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -541.724328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.724328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.724328 (E_RNA)
where:
Base-Base interactions energy: -354.632
where: short stacking energy: -158.882
Base-Backbone interact. energy: -0.015
local terms energy: -187.077297
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -51.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -505.670705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.670705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.670705 (E_RNA)
where:
Base-Base interactions energy: -321.183
where: short stacking energy: -168.163
Base-Backbone interact. energy: 0.376
local terms energy: -184.863932
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -25.500
tors. eta vs tors. theta energy: -49.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -447.016224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.016224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.016224 (E_RNA)
where:
Base-Base interactions energy: -284.142
where: short stacking energy: -146.077
Base-Backbone interact. energy: -0.915
local terms energy: -161.959149
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -29.108
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -401.698817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.698817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.698817 (E_RNA)
where:
Base-Base interactions energy: -245.588
where: short stacking energy: -110.524
Base-Backbone interact. energy: -0.349
local terms energy: -155.761789
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -33.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -351.171008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.171008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.171008 (E_RNA)
where:
Base-Base interactions energy: -203.252
where: short stacking energy: -101.786
Base-Backbone interact. energy: -0.305
local terms energy: -147.614113
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -38.489
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -318.434163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.434163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.434163 (E_RNA)
where:
Base-Base interactions energy: -190.199
where: short stacking energy: -101.216
Base-Backbone interact. energy: -1.325
local terms energy: -126.909953
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -306.458091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.458091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.458091 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.123
local terms energy: -138.009321
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -272.135618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.135618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.135618 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -68.203
Base-Backbone interact. energy: -0.672
local terms energy: -118.753440
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -284.139688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.139688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.139688 (E_RNA)
where:
Base-Base interactions energy: -168.853
where: short stacking energy: -80.201
Base-Backbone interact. energy: -0.682
local terms energy: -114.605239
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -585.088233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.088233 (E_RNA)
where:
Base-Base interactions energy: -394.102
where: short stacking energy: -188.612
Base-Backbone interact. energy: -0.249
local terms energy: -190.736444
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -37.056
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -61.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -545.271243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.271243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.271243 (E_RNA)
where:
Base-Base interactions energy: -352.973
where: short stacking energy: -179.248
Base-Backbone interact. energy: -0.328
local terms energy: -191.971124
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: -54.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -506.688580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.688580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.688580 (E_RNA)
where:
Base-Base interactions energy: -331.287
where: short stacking energy: -157.569
Base-Backbone interact. energy: -0.324
local terms energy: -175.077399
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -48.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -450.045066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.045066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.045066 (E_RNA)
where:
Base-Base interactions energy: -292.262
where: short stacking energy: -156.600
Base-Backbone interact. energy: -0.448
local terms energy: -157.334425
where:
bonds (distance) C4'-P energy: -35.646
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -42.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -409.722665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.722665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.722665 (E_RNA)
where:
Base-Base interactions energy: -244.614
where: short stacking energy: -117.459
Base-Backbone interact. energy: -0.273
local terms energy: -164.835915
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -27.190
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -329.983136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.983136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.983136 (E_RNA)
where:
Base-Base interactions energy: -197.297
where: short stacking energy: -92.558
Base-Backbone interact. energy: -0.286
local terms energy: -132.400229
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -319.462593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.462593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.462593 (E_RNA)
where:
Base-Base interactions energy: -181.495
where: short stacking energy: -97.430
Base-Backbone interact. energy: -0.031
local terms energy: -137.936810
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -301.157534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.157534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.157534 (E_RNA)
where:
Base-Base interactions energy: -158.985
where: short stacking energy: -80.375
Base-Backbone interact. energy: 1.489
local terms energy: -143.662054
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -280.663793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.663793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.663793 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -83.072
Base-Backbone interact. energy: -0.278
local terms energy: -124.251328
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -301.628428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.628428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.628428 (E_RNA)
where:
Base-Base interactions energy: -185.245
where: short stacking energy: -83.442
Base-Backbone interact. energy: -0.888
local terms energy: -115.495900
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -580.102348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.102348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.102348 (E_RNA)
where:
Base-Base interactions energy: -385.948
where: short stacking energy: -184.891
Base-Backbone interact. energy: 0.132
local terms energy: -194.286462
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -543.630984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.630984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.630984 (E_RNA)
where:
Base-Base interactions energy: -359.880
where: short stacking energy: -167.635
Base-Backbone interact. energy: -0.185
local terms energy: -183.565787
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -516.637748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.637748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.637748 (E_RNA)
where:
Base-Base interactions energy: -341.757
where: short stacking energy: -142.823
Base-Backbone interact. energy: -1.396
local terms energy: -173.484712
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -40.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -458.732134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.732134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.732134 (E_RNA)
where:
Base-Base interactions energy: -299.309
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.894
local terms energy: -158.528864
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -408.383421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.383421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.383421 (E_RNA)
where:
Base-Base interactions energy: -235.194
where: short stacking energy: -114.295
Base-Backbone interact. energy: -0.863
local terms energy: -172.326096
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -354.781754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.781754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.781754 (E_RNA)
where:
Base-Base interactions energy: -221.609
where: short stacking energy: -109.417
Base-Backbone interact. energy: -0.209
local terms energy: -132.963850
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -335.703721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.703721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.703721 (E_RNA)
where:
Base-Base interactions energy: -219.490
where: short stacking energy: -105.763
Base-Backbone interact. energy: -0.150
local terms energy: -116.063505
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -308.713875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.713875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.713875 (E_RNA)
where:
Base-Base interactions energy: -181.424
where: short stacking energy: -92.116
Base-Backbone interact. energy: -0.279
local terms energy: -127.010891
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -323.554365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.554365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.554365 (E_RNA)
where:
Base-Base interactions energy: -188.734
where: short stacking energy: -106.305
Base-Backbone interact. energy: -0.759
local terms energy: -134.061973
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -276.142026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.142026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.142026 (E_RNA)
where:
Base-Base interactions energy: -159.890
where: short stacking energy: -73.687
Base-Backbone interact. energy: 2.221
local terms energy: -118.472404
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -588.997809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.997809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.997809 (E_RNA)
where:
Base-Base interactions energy: -400.298
where: short stacking energy: -186.964
Base-Backbone interact. energy: -0.079
local terms energy: -188.620740
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -54.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -550.505991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.505991 (E_RNA)
where:
Base-Base interactions energy: -366.988
where: short stacking energy: -178.110
Base-Backbone interact. energy: -0.111
local terms energy: -183.406573
where:
bonds (distance) C4'-P energy: -34.081
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -49.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -491.043238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.043238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.043238 (E_RNA)
where:
Base-Base interactions energy: -323.510
where: short stacking energy: -144.021
Base-Backbone interact. energy: 1.498
local terms energy: -169.031896
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -46.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -456.963440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.963440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.963440 (E_RNA)
where:
Base-Base interactions energy: -291.125
where: short stacking energy: -138.785
Base-Backbone interact. energy: -0.213
local terms energy: -165.625251
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -417.123921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.123921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.123921 (E_RNA)
where:
Base-Base interactions energy: -260.140
where: short stacking energy: -125.876
Base-Backbone interact. energy: 0.419
local terms energy: -157.403294
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -38.120
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -41.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -350.738248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.738248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.738248 (E_RNA)
where:
Base-Base interactions energy: -201.492
where: short stacking energy: -96.060
Base-Backbone interact. energy: -0.356
local terms energy: -148.889979
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -39.462
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -336.809767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.809767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.809767 (E_RNA)
where:
Base-Base interactions energy: -192.195
where: short stacking energy: -101.069
Base-Backbone interact. energy: 1.938
local terms energy: -146.553086
where:
bonds (distance) C4'-P energy: -25.730
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -36.007
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -335.392841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.392841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.392841 (E_RNA)
where:
Base-Base interactions energy: -200.272
where: short stacking energy: -102.659
Base-Backbone interact. energy: 0.411
local terms energy: -135.532432
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -319.075850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.075850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.075850 (E_RNA)
where:
Base-Base interactions energy: -187.800
where: short stacking energy: -92.651
Base-Backbone interact. energy: 1.959
local terms energy: -133.235391
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -269.722628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.722628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.722628 (E_RNA)
where:
Base-Base interactions energy: -157.816
where: short stacking energy: -69.702
Base-Backbone interact. energy: 0.305
local terms energy: -112.211643
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -584.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.516190 (E_RNA)
where:
Base-Base interactions energy: -389.834
where: short stacking energy: -186.663
Base-Backbone interact. energy: 1.183
local terms energy: -195.865649
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -53.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -550.067864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.067864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.067864 (E_RNA)
where:
Base-Base interactions energy: -371.964
where: short stacking energy: -172.001
Base-Backbone interact. energy: -0.186
local terms energy: -177.917745
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -50.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -471.672541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.672541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.672541 (E_RNA)
where:
Base-Base interactions energy: -303.029
where: short stacking energy: -163.978
Base-Backbone interact. energy: 1.039
local terms energy: -169.682229
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -47.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -480.898893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.898893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.898893 (E_RNA)
where:
Base-Base interactions energy: -316.417
where: short stacking energy: -158.037
Base-Backbone interact. energy: -0.259
local terms energy: -164.223056
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -45.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -407.685335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.685335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.685335 (E_RNA)
where:
Base-Base interactions energy: -239.257
where: short stacking energy: -118.461
Base-Backbone interact. energy: -0.297
local terms energy: -168.131012
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -368.095418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.095418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.095418 (E_RNA)
where:
Base-Base interactions energy: -215.523
where: short stacking energy: -119.446
Base-Backbone interact. energy: -0.160
local terms energy: -152.411702
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -35.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -329.451205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.451205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.451205 (E_RNA)
where:
Base-Base interactions energy: -190.747
where: short stacking energy: -101.025
Base-Backbone interact. energy: -1.174
local terms energy: -137.530982
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -311.796182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.796182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.796182 (E_RNA)
where:
Base-Base interactions energy: -187.549
where: short stacking energy: -94.679
Base-Backbone interact. energy: 0.922
local terms energy: -125.168602
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -310.361774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.361774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.361774 (E_RNA)
where:
Base-Base interactions energy: -180.292
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.364
local terms energy: -129.705597
where:
bonds (distance) C4'-P energy: -33.439
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -287.466307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.466307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.466307 (E_RNA)
where:
Base-Base interactions energy: -168.846
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.096
local terms energy: -118.523779
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -580.753134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.753134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.753134 (E_RNA)
where:
Base-Base interactions energy: -382.946
where: short stacking energy: -191.270
Base-Backbone interact. energy: 1.173
local terms energy: -198.979868
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -42.333
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: -58.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -536.544699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.544699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.544699 (E_RNA)
where:
Base-Base interactions energy: -349.775
where: short stacking energy: -149.529
Base-Backbone interact. energy: -0.413
local terms energy: -186.357288
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -51.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -462.700526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.700526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.700526 (E_RNA)
where:
Base-Base interactions energy: -297.363
where: short stacking energy: -153.472
Base-Backbone interact. energy: -0.402
local terms energy: -164.935434
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -40.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -502.642548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.642548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.642548 (E_RNA)
where:
Base-Base interactions energy: -321.865
where: short stacking energy: -159.908
Base-Backbone interact. energy: 1.196
local terms energy: -181.974001
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -35.371
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -414.107501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.107501 (E_RNA)
where:
Base-Base interactions energy: -250.359
where: short stacking energy: -127.936
Base-Backbone interact. energy: -0.101
local terms energy: -163.647544
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -349.281330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.281330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.281330 (E_RNA)
where:
Base-Base interactions energy: -206.317
where: short stacking energy: -107.891
Base-Backbone interact. energy: -0.319
local terms energy: -142.645225
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -31.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -330.106422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.106422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.106422 (E_RNA)
where:
Base-Base interactions energy: -192.492
where: short stacking energy: -100.542
Base-Backbone interact. energy: -0.401
local terms energy: -137.214025
where:
bonds (distance) C4'-P energy: -31.395
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -307.938798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.938798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.938798 (E_RNA)
where:
Base-Base interactions energy: -184.902
where: short stacking energy: -92.931
Base-Backbone interact. energy: -0.668
local terms energy: -122.368828
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -266.570233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.570233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.570233 (E_RNA)
where:
Base-Base interactions energy: -161.643
where: short stacking energy: -72.939
Base-Backbone interact. energy: 0.238
local terms energy: -105.164820
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -223.656396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.656396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.656396 (E_RNA)
where:
Base-Base interactions energy: -121.611
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.922
local terms energy: -101.123476
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -583.891693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.891693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.891693 (E_RNA)
where:
Base-Base interactions energy: -386.577
where: short stacking energy: -195.152
Base-Backbone interact. energy: -0.078
local terms energy: -197.236591
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -550.962055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.962055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.962055 (E_RNA)
where:
Base-Base interactions energy: -356.598
where: short stacking energy: -176.465
Base-Backbone interact. energy: -0.067
local terms energy: -194.297898
where:
bonds (distance) C4'-P energy: -33.862
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -43.854
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: -55.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -508.545387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.545387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.545387 (E_RNA)
where:
Base-Base interactions energy: -326.068
where: short stacking energy: -169.386
Base-Backbone interact. energy: -0.011
local terms energy: -182.465594
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -50.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -445.031620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.031620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.031620 (E_RNA)
where:
Base-Base interactions energy: -268.891
where: short stacking energy: -144.296
Base-Backbone interact. energy: -0.168
local terms energy: -175.972285
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: -40.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -414.881390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.881390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.881390 (E_RNA)
where:
Base-Base interactions energy: -255.039
where: short stacking energy: -122.938
Base-Backbone interact. energy: -0.291
local terms energy: -159.551274
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -28.869
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -42.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -334.481467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.481467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.481467 (E_RNA)
where:
Base-Base interactions energy: -189.012
where: short stacking energy: -106.565
Base-Backbone interact. energy: -1.443
local terms energy: -144.026567
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -333.510820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.510820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.510820 (E_RNA)
where:
Base-Base interactions energy: -184.890
where: short stacking energy: -91.579
Base-Backbone interact. energy: -0.439
local terms energy: -148.182669
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -302.000268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.000268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.000268 (E_RNA)
where:
Base-Base interactions energy: -180.977
where: short stacking energy: -86.265
Base-Backbone interact. energy: -0.246
local terms energy: -120.777148
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -293.867318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.867318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.867318 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -83.380
Base-Backbone interact. energy: 0.203
local terms energy: -126.322767
where:
bonds (distance) C4'-P energy: -33.539
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -249.752715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.752715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.752715 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -83.277
Base-Backbone interact. energy: 0.126
local terms energy: -100.766098
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -585.178218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.178218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.178218 (E_RNA)
where:
Base-Base interactions energy: -389.156
where: short stacking energy: -188.226
Base-Backbone interact. energy: -0.027
local terms energy: -195.995025
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -57.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -534.342326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.342326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.342326 (E_RNA)
where:
Base-Base interactions energy: -352.249
where: short stacking energy: -174.904
Base-Backbone interact. energy: -0.051
local terms energy: -182.042764
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -52.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -514.776007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.776007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.776007 (E_RNA)
where:
Base-Base interactions energy: -331.315
where: short stacking energy: -160.028
Base-Backbone interact. energy: -0.017
local terms energy: -183.444021
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -41.559
flat angles P-C4'-P energy: -28.499
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -450.109345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.109345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.109345 (E_RNA)
where:
Base-Base interactions energy: -282.876
where: short stacking energy: -140.471
Base-Backbone interact. energy: -0.322
local terms energy: -166.910915
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -42.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -422.708330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.708330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.708330 (E_RNA)
where:
Base-Base interactions energy: -259.450
where: short stacking energy: -136.201
Base-Backbone interact. energy: 0.041
local terms energy: -163.299615
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -39.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -325.697188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.697188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.697188 (E_RNA)
where:
Base-Base interactions energy: -192.599
where: short stacking energy: -90.154
Base-Backbone interact. energy: -0.693
local terms energy: -132.404578
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -342.459899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.459899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.459899 (E_RNA)
where:
Base-Base interactions energy: -195.439
where: short stacking energy: -104.050
Base-Backbone interact. energy: 0.234
local terms energy: -147.254823
where:
bonds (distance) C4'-P energy: -29.495
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -321.000219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.000219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.000219 (E_RNA)
where:
Base-Base interactions energy: -181.260
where: short stacking energy: -84.210
Base-Backbone interact. energy: -0.300
local terms energy: -139.440163
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -275.383253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.383253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.383253 (E_RNA)
where:
Base-Base interactions energy: -170.663
where: short stacking energy: -82.957
Base-Backbone interact. energy: -0.497
local terms energy: -104.223312
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -294.592159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.592159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.592159 (E_RNA)
where:
Base-Base interactions energy: -164.445
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.177
local terms energy: -129.969906
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -566.832235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.832235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.832235 (E_RNA)
where:
Base-Base interactions energy: -368.376
where: short stacking energy: -193.262
Base-Backbone interact. energy: -0.093
local terms energy: -198.364103
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -35.510
flat angles C4'-P-C4' energy: -40.808
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -56.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -519.208686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.208686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.208686 (E_RNA)
where:
Base-Base interactions energy: -330.256
where: short stacking energy: -164.175
Base-Backbone interact. energy: -0.681
local terms energy: -188.272098
where:
bonds (distance) C4'-P energy: -38.334
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -38.246
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -51.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -515.603765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.603765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.603765 (E_RNA)
where:
Base-Base interactions energy: -342.373
where: short stacking energy: -138.782
Base-Backbone interact. energy: -0.353
local terms energy: -172.877840
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -449.105426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.105426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.105426 (E_RNA)
where:
Base-Base interactions energy: -282.685
where: short stacking energy: -138.566
Base-Backbone interact. energy: 0.467
local terms energy: -166.887112
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -34.799
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -429.354671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.354671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.354671 (E_RNA)
where:
Base-Base interactions energy: -253.073
where: short stacking energy: -135.419
Base-Backbone interact. energy: -0.990
local terms energy: -175.292011
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -38.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -352.401844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.401844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.401844 (E_RNA)
where:
Base-Base interactions energy: -202.957
where: short stacking energy: -104.188
Base-Backbone interact. energy: -0.062
local terms energy: -149.383062
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -36.961
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -305.209005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.209005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.209005 (E_RNA)
where:
Base-Base interactions energy: -170.534
where: short stacking energy: -78.976
Base-Backbone interact. energy: -0.569
local terms energy: -134.106283
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -313.593061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.593061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.593061 (E_RNA)
where:
Base-Base interactions energy: -194.286
where: short stacking energy: -93.777
Base-Backbone interact. energy: -1.074
local terms energy: -118.232755
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -295.737519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.737519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.737519 (E_RNA)
where:
Base-Base interactions energy: -170.957
where: short stacking energy: -83.911
Base-Backbone interact. energy: -0.271
local terms energy: -124.509640
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -249.920514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.920514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.920514 (E_RNA)
where:
Base-Base interactions energy: -132.982
where: short stacking energy: -71.502
Base-Backbone interact. energy: -0.892
local terms energy: -116.046464
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -588.729998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.729998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.729998 (E_RNA)
where:
Base-Base interactions energy: -393.055
where: short stacking energy: -186.341
Base-Backbone interact. energy: -0.099
local terms energy: -195.575880
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -42.228
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -56.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -528.081356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.081356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.081356 (E_RNA)
where:
Base-Base interactions energy: -353.103
where: short stacking energy: -171.553
Base-Backbone interact. energy: -0.544
local terms energy: -174.434255
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -35.939
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -51.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -511.562181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.562181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.562181 (E_RNA)
where:
Base-Base interactions energy: -338.106
where: short stacking energy: -171.639
Base-Backbone interact. energy: 1.004
local terms energy: -174.459451
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -388.790255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.790255 (E_RNA)
where:
Base-Base interactions energy: -228.990
where: short stacking energy: -118.998
Base-Backbone interact. energy: -0.587
local terms energy: -159.213782
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -424.922924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.922924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.922924 (E_RNA)
where:
Base-Base interactions energy: -264.855
where: short stacking energy: -136.840
Base-Backbone interact. energy: -0.067
local terms energy: -160.000431
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -44.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -331.009653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.009653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.009653 (E_RNA)
where:
Base-Base interactions energy: -190.307
where: short stacking energy: -99.451
Base-Backbone interact. energy: -0.812
local terms energy: -139.891451
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -329.687908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.687908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.687908 (E_RNA)
where:
Base-Base interactions energy: -184.037
where: short stacking energy: -95.952
Base-Backbone interact. energy: -0.305
local terms energy: -145.345867
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -321.503377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.503377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.503377 (E_RNA)
where:
Base-Base interactions energy: -193.332
where: short stacking energy: -88.460
Base-Backbone interact. energy: -2.185
local terms energy: -125.986235
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -313.922790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.922790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.922790 (E_RNA)
where:
Base-Base interactions energy: -190.197
where: short stacking energy: -80.748
Base-Backbone interact. energy: -1.152
local terms energy: -122.574546
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -267.356352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.356352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.356352 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.912
local terms energy: -120.646795
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -581.089250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.089250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.089250 (E_RNA)
where:
Base-Base interactions energy: -386.341
where: short stacking energy: -186.799
Base-Backbone interact. energy: 0.630
local terms energy: -195.377823
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -531.708213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.708213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.708213 (E_RNA)
where:
Base-Base interactions energy: -347.711
where: short stacking energy: -171.430
Base-Backbone interact. energy: -0.859
local terms energy: -183.137519
where:
bonds (distance) C4'-P energy: -33.326
bonds (distance) P-C4' energy: -34.023
flat angles C4'-P-C4' energy: -36.403
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -50.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -509.538878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.538878 (E_RNA)
where:
Base-Base interactions energy: -329.183
where: short stacking energy: -163.649
Base-Backbone interact. energy: 0.569
local terms energy: -180.925050
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -47.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -389.592642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.592642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.592642 (E_RNA)
where:
Base-Base interactions energy: -226.700
where: short stacking energy: -115.044
Base-Backbone interact. energy: -0.396
local terms energy: -162.496189
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -41.080
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -33.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -416.936074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.936074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.936074 (E_RNA)
where:
Base-Base interactions energy: -250.014
where: short stacking energy: -136.126
Base-Backbone interact. energy: 0.012
local terms energy: -166.934218
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -42.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -356.562294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.562294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.562294 (E_RNA)
where:
Base-Base interactions energy: -210.607
where: short stacking energy: -103.787
Base-Backbone interact. energy: -0.755
local terms energy: -145.200682
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -309.217871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.217871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.217871 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -90.189
Base-Backbone interact. energy: 0.156
local terms energy: -135.850712
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -327.706985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.706985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.706985 (E_RNA)
where:
Base-Base interactions energy: -203.123
where: short stacking energy: -103.867
Base-Backbone interact. energy: -0.219
local terms energy: -124.364213
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -24.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -295.074881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.074881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.074881 (E_RNA)
where:
Base-Base interactions energy: -160.369
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.316
local terms energy: -134.389352
where:
bonds (distance) C4'-P energy: -36.960
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -262.873382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.873382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.873382 (E_RNA)
where:
Base-Base interactions energy: -163.996
where: short stacking energy: -86.110
Base-Backbone interact. energy: -0.318
local terms energy: -98.559610
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -575.117810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.117810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.117810 (E_RNA)
where:
Base-Base interactions energy: -381.650
where: short stacking energy: -183.738
Base-Backbone interact. energy: -0.129
local terms energy: -193.339154
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -530.510481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.510481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.510481 (E_RNA)
where:
Base-Base interactions energy: -344.348
where: short stacking energy: -155.737
Base-Backbone interact. energy: -0.214
local terms energy: -185.949003
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -48.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -505.112140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.112140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.112140 (E_RNA)
where:
Base-Base interactions energy: -332.420
where: short stacking energy: -156.959
Base-Backbone interact. energy: -0.135
local terms energy: -172.557895
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: -46.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -430.075075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.075075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.075075 (E_RNA)
where:
Base-Base interactions energy: -258.370
where: short stacking energy: -143.487
Base-Backbone interact. energy: -0.225
local terms energy: -171.480645
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -43.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -365.372083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.372083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.372083 (E_RNA)
where:
Base-Base interactions energy: -227.152
where: short stacking energy: -115.944
Base-Backbone interact. energy: -0.157
local terms energy: -138.063119
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -35.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -346.495999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.495999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.495999 (E_RNA)
where:
Base-Base interactions energy: -215.387
where: short stacking energy: -92.366
Base-Backbone interact. energy: -0.694
local terms energy: -130.414752
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -306.918890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.918890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.918890 (E_RNA)
where:
Base-Base interactions energy: -181.487
where: short stacking energy: -92.848
Base-Backbone interact. energy: -0.623
local terms energy: -124.808458
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -315.958475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.958475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.958475 (E_RNA)
where:
Base-Base interactions energy: -193.402
where: short stacking energy: -103.814
Base-Backbone interact. energy: -0.206
local terms energy: -122.350085
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -29.371
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -308.074589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.074589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.074589 (E_RNA)
where:
Base-Base interactions energy: -169.287
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.327
local terms energy: -138.460034
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -236.587799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.587799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.587799 (E_RNA)
where:
Base-Base interactions energy: -135.488
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.687
local terms energy: -100.412615
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -567.937708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.937708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.937708 (E_RNA)
where:
Base-Base interactions energy: -395.594
where: short stacking energy: -189.785
Base-Backbone interact. energy: -0.264
local terms energy: -172.079402
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -35.995
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -55.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -541.905860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.905860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.905860 (E_RNA)
where:
Base-Base interactions energy: -352.199
where: short stacking energy: -167.430
Base-Backbone interact. energy: -0.433
local terms energy: -189.273503
where:
bonds (distance) C4'-P energy: -37.341
bonds (distance) P-C4' energy: -39.593
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -53.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -510.286084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.286084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.286084 (E_RNA)
where:
Base-Base interactions energy: -324.134
where: short stacking energy: -154.354
Base-Backbone interact. energy: -0.239
local terms energy: -185.912766
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -50.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -437.234880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.234880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.234880 (E_RNA)
where:
Base-Base interactions energy: -265.361
where: short stacking energy: -141.549
Base-Backbone interact. energy: 0.561
local terms energy: -172.434968
where:
bonds (distance) C4'-P energy: -33.134
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -39.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -361.261950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.261950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.261950 (E_RNA)
where:
Base-Base interactions energy: -214.155
where: short stacking energy: -125.772
Base-Backbone interact. energy: -0.222
local terms energy: -146.885252
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -367.988211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.988211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.988211 (E_RNA)
where:
Base-Base interactions energy: -218.912
where: short stacking energy: -113.709
Base-Backbone interact. energy: 2.150
local terms energy: -151.226321
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -296.798415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.798415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.798415 (E_RNA)
where:
Base-Base interactions energy: -175.441
where: short stacking energy: -87.347
Base-Backbone interact. energy: -0.606
local terms energy: -120.751045
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -320.158925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.158925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.158925 (E_RNA)
where:
Base-Base interactions energy: -176.601
where: short stacking energy: -85.665
Base-Backbone interact. energy: -0.572
local terms energy: -142.985820
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -273.624231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.624231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.624231 (E_RNA)
where:
Base-Base interactions energy: -158.188
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.625
local terms energy: -114.812086
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -315.443479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.443479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.443479 (E_RNA)
where:
Base-Base interactions energy: -220.056
where: short stacking energy: -91.551
Base-Backbone interact. energy: -0.245
local terms energy: -95.142811
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -590.656187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.656187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.656187 (E_RNA)
where:
Base-Base interactions energy: -394.497
where: short stacking energy: -190.644
Base-Backbone interact. energy: -0.010
local terms energy: -196.149471
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -38.958
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -62.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -549.606259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.606259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.606259 (E_RNA)
where:
Base-Base interactions energy: -371.498
where: short stacking energy: -185.652
Base-Backbone interact. energy: -0.041
local terms energy: -178.067298
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -36.158
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -57.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -505.368355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.368355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.368355 (E_RNA)
where:
Base-Base interactions energy: -324.781
where: short stacking energy: -156.552
Base-Backbone interact. energy: -0.679
local terms energy: -179.908133
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -39.542
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -48.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -426.748159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.748159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.748159 (E_RNA)
where:
Base-Base interactions energy: -267.910
where: short stacking energy: -146.520
Base-Backbone interact. energy: -0.192
local terms energy: -158.646216
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -48.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -353.234948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.234948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.234948 (E_RNA)
where:
Base-Base interactions energy: -207.068
where: short stacking energy: -119.896
Base-Backbone interact. energy: -0.225
local terms energy: -145.941606
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -36.424
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -342.039676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.039676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.039676 (E_RNA)
where:
Base-Base interactions energy: -206.275
where: short stacking energy: -104.664
Base-Backbone interact. energy: -0.002
local terms energy: -135.762418
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -311.327627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.327627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.327627 (E_RNA)
where:
Base-Base interactions energy: -193.493
where: short stacking energy: -90.716
Base-Backbone interact. energy: -0.431
local terms energy: -117.403983
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -317.913459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.913459 (E_RNA)
where:
Base-Base interactions energy: -194.784
where: short stacking energy: -99.537
Base-Backbone interact. energy: -0.041
local terms energy: -123.089323
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -292.505499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.505499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.505499 (E_RNA)
where:
Base-Base interactions energy: -168.453
where: short stacking energy: -87.126
Base-Backbone interact. energy: 1.115
local terms energy: -125.167417
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -301.011435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.011435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.011435 (E_RNA)
where:
Base-Base interactions energy: -184.937
where: short stacking energy: -87.342
Base-Backbone interact. energy: 0.087
local terms energy: -116.161793
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -566.444896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.444896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.444896 (E_RNA)
where:
Base-Base interactions energy: -364.386
where: short stacking energy: -182.184
Base-Backbone interact. energy: 0.226
local terms energy: -202.285331
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -31.446
tors. eta vs tors. theta energy: -55.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -537.298968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.298968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.298968 (E_RNA)
where:
Base-Base interactions energy: -356.574
where: short stacking energy: -164.244
Base-Backbone interact. energy: -0.610
local terms energy: -180.114910
where:
bonds (distance) C4'-P energy: -39.446
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -50.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -511.777871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.777871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.777871 (E_RNA)
where:
Base-Base interactions energy: -335.555
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.090
local terms energy: -176.132853
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -49.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -429.501605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.501605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.501605 (E_RNA)
where:
Base-Base interactions energy: -263.020
where: short stacking energy: -136.680
Base-Backbone interact. energy: 0.064
local terms energy: -166.545104
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -33.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -365.324958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.324958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.324958 (E_RNA)
where:
Base-Base interactions energy: -217.767
where: short stacking energy: -117.875
Base-Backbone interact. energy: 0.062
local terms energy: -147.620104
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -343.962862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.962862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.962862 (E_RNA)
where:
Base-Base interactions energy: -205.385
where: short stacking energy: -114.028
Base-Backbone interact. energy: -0.494
local terms energy: -138.083400
where:
bonds (distance) C4'-P energy: -35.496
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -309.908202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.908202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.908202 (E_RNA)
where:
Base-Base interactions energy: -170.121
where: short stacking energy: -87.956
Base-Backbone interact. energy: -0.338
local terms energy: -139.448947
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -298.156317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.156317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.156317 (E_RNA)
where:
Base-Base interactions energy: -172.177
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.112
local terms energy: -125.867963
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -319.980598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.980598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.980598 (E_RNA)
where:
Base-Base interactions energy: -196.157
where: short stacking energy: -92.772
Base-Backbone interact. energy: 1.333
local terms energy: -125.156461
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -287.749955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.749955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.749955 (E_RNA)
where:
Base-Base interactions energy: -158.770
where: short stacking energy: -75.037
Base-Backbone interact. energy: -1.560
local terms energy: -127.420817
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -564.942498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.942498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.942498 (E_RNA)
where:
Base-Base interactions energy: -378.657
where: short stacking energy: -179.796
Base-Backbone interact. energy: 0.089
local terms energy: -186.374635
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -34.296
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -56.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -524.418015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.418015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.418015 (E_RNA)
where:
Base-Base interactions energy: -342.547
where: short stacking energy: -151.944
Base-Backbone interact. energy: -0.066
local terms energy: -181.805281
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -42.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -491.043705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.043705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.043705 (E_RNA)
where:
Base-Base interactions energy: -319.424
where: short stacking energy: -152.823
Base-Backbone interact. energy: -0.219
local terms energy: -171.400833
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -50.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -430.436899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.436899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.436899 (E_RNA)
where:
Base-Base interactions energy: -267.485
where: short stacking energy: -127.251
Base-Backbone interact. energy: -0.031
local terms energy: -162.920974
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -37.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -348.994650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.994650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.994650 (E_RNA)
where:
Base-Base interactions energy: -200.504
where: short stacking energy: -109.797
Base-Backbone interact. energy: -0.078
local terms energy: -148.412269
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -26.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -335.309297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.309297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.309297 (E_RNA)
where:
Base-Base interactions energy: -192.117
where: short stacking energy: -98.718
Base-Backbone interact. energy: 0.219
local terms energy: -143.412015
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -320.856862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.856862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.856862 (E_RNA)
where:
Base-Base interactions energy: -205.049
where: short stacking energy: -102.987
Base-Backbone interact. energy: -0.032
local terms energy: -115.776401
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -341.060154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.060154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.060154 (E_RNA)
where:
Base-Base interactions energy: -218.801
where: short stacking energy: -89.985
Base-Backbone interact. energy: 1.640
local terms energy: -123.899104
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -300.922342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.922342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.922342 (E_RNA)
where:
Base-Base interactions energy: -169.197
where: short stacking energy: -80.193
Base-Backbone interact. energy: -0.049
local terms energy: -131.675821
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -42.540
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -256.013973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.013973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.013973 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -50.444
Base-Backbone interact. energy: -0.357
local terms energy: -115.717017
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -572.664416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.664416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.664416 (E_RNA)
where:
Base-Base interactions energy: -374.660
where: short stacking energy: -187.661
Base-Backbone interact. energy: -0.067
local terms energy: -197.936663
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -37.423
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -57.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -544.621430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.621430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.621430 (E_RNA)
where:
Base-Base interactions energy: -366.265
where: short stacking energy: -163.950
Base-Backbone interact. energy: -0.061
local terms energy: -178.294919
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -54.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -446.174272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.174272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.174272 (E_RNA)
where:
Base-Base interactions energy: -282.205
where: short stacking energy: -140.321
Base-Backbone interact. energy: -0.379
local terms energy: -163.590462
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -36.875
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -494.669328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.669328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.669328 (E_RNA)
where:
Base-Base interactions energy: -324.264
where: short stacking energy: -152.483
Base-Backbone interact. energy: 0.168
local terms energy: -170.573270
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -50.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -353.710230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.710230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.710230 (E_RNA)
where:
Base-Base interactions energy: -204.262
where: short stacking energy: -106.602
Base-Backbone interact. energy: 0.547
local terms energy: -149.994664
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -31.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -340.781430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.781430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.781430 (E_RNA)
where:
Base-Base interactions energy: -198.296
where: short stacking energy: -103.775
Base-Backbone interact. energy: -0.283
local terms energy: -142.201835
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -37.005
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -316.845305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.845305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.845305 (E_RNA)
where:
Base-Base interactions energy: -200.821
where: short stacking energy: -91.887
Base-Backbone interact. energy: -2.379
local terms energy: -113.646213
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -317.524665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.524665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.524665 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -104.339
Base-Backbone interact. energy: 0.229
local terms energy: -128.202555
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -263.775368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.775368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.775368 (E_RNA)
where:
Base-Base interactions energy: -147.933
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.795
local terms energy: -115.047121
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -253.462343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.462343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.462343 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -74.564
Base-Backbone interact. energy: 2.356
local terms energy: -109.527148
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -579.316112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.316112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.316112 (E_RNA)
where:
Base-Base interactions energy: -382.533
where: short stacking energy: -177.640
Base-Backbone interact. energy: -0.078
local terms energy: -196.705162
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -37.022
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -60.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -559.141793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.141793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.141793 (E_RNA)
where:
Base-Base interactions energy: -372.328
where: short stacking energy: -172.557
Base-Backbone interact. energy: 1.105
local terms energy: -187.918849
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -57.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -446.568770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.568770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.568770 (E_RNA)
where:
Base-Base interactions energy: -271.292
where: short stacking energy: -153.853
Base-Backbone interact. energy: -0.699
local terms energy: -174.577797
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -43.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -506.112038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.112038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.112038 (E_RNA)
where:
Base-Base interactions energy: -325.693
where: short stacking energy: -157.794
Base-Backbone interact. energy: -0.019
local terms energy: -180.400435
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -32.751
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -47.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -365.045685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.045685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.045685 (E_RNA)
where:
Base-Base interactions energy: -222.004
where: short stacking energy: -122.921
Base-Backbone interact. energy: 0.474
local terms energy: -143.515488
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -31.191
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -27.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -344.998231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.998231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.998231 (E_RNA)
where:
Base-Base interactions energy: -202.098
where: short stacking energy: -99.073
Base-Backbone interact. energy: -0.688
local terms energy: -142.211528
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -354.836804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.836804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.836804 (E_RNA)
where:
Base-Base interactions energy: -210.444
where: short stacking energy: -99.193
Base-Backbone interact. energy: -0.300
local terms energy: -144.093142
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -319.718003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.718003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.718003 (E_RNA)
where:
Base-Base interactions energy: -193.588
where: short stacking energy: -105.391
Base-Backbone interact. energy: -1.070
local terms energy: -125.059458
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -290.250695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.250695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.250695 (E_RNA)
where:
Base-Base interactions energy: -165.179
where: short stacking energy: -75.658
Base-Backbone interact. energy: -0.299
local terms energy: -124.773070
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -250.439963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.439963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.439963 (E_RNA)
where:
Base-Base interactions energy: -151.371
where: short stacking energy: -63.034
Base-Backbone interact. energy: -1.187
local terms energy: -97.881108
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -579.468841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.468841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.468841 (E_RNA)
where:
Base-Base interactions energy: -380.280
where: short stacking energy: -189.588
Base-Backbone interact. energy: -0.066
local terms energy: -199.122721
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -60.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -539.613819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.613819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.613819 (E_RNA)
where:
Base-Base interactions energy: -359.890
where: short stacking energy: -165.369
Base-Backbone interact. energy: 0.550
local terms energy: -180.273539
where:
bonds (distance) C4'-P energy: -35.391
bonds (distance) P-C4' energy: -35.438
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -51.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -498.012980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.012980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.012980 (E_RNA)
where:
Base-Base interactions energy: -307.951
where: short stacking energy: -160.382
Base-Backbone interact. energy: -0.018
local terms energy: -190.044155
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -51.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -432.370266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.370266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.370266 (E_RNA)
where:
Base-Base interactions energy: -268.103
where: short stacking energy: -123.322
Base-Backbone interact. energy: -0.208
local terms energy: -164.058766
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -362.512833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.512833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.512833 (E_RNA)
where:
Base-Base interactions energy: -213.772
where: short stacking energy: -121.362
Base-Backbone interact. energy: -0.189
local terms energy: -148.551858
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -28.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -377.447305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.447305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.447305 (E_RNA)
where:
Base-Base interactions energy: -237.656
where: short stacking energy: -101.133
Base-Backbone interact. energy: -1.147
local terms energy: -138.644599
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -326.854343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.854343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.854343 (E_RNA)
where:
Base-Base interactions energy: -186.400
where: short stacking energy: -99.728
Base-Backbone interact. energy: -0.498
local terms energy: -139.956182
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -41.187
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -316.095939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.095939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.095939 (E_RNA)
where:
Base-Base interactions energy: -175.791
where: short stacking energy: -92.720
Base-Backbone interact. energy: -0.358
local terms energy: -139.947243
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -36.082
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -24.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -290.445596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.445596 (E_RNA)
where:
Base-Base interactions energy: -173.041
where: short stacking energy: -78.320
Base-Backbone interact. energy: 4.732
local terms energy: -122.136514
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -276.217055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.217055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.217055 (E_RNA)
where:
Base-Base interactions energy: -162.491
where: short stacking energy: -72.858
Base-Backbone interact. energy: -0.075
local terms energy: -113.650802
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -587.942691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.942691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.942691 (E_RNA)
where:
Base-Base interactions energy: -387.243
where: short stacking energy: -181.290
Base-Backbone interact. energy: -0.021
local terms energy: -200.678554
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -37.203
flat angles C4'-P-C4' energy: -40.923
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -58.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -543.579791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.579791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.579791 (E_RNA)
where:
Base-Base interactions energy: -363.809
where: short stacking energy: -177.942
Base-Backbone interact. energy: 0.710
local terms energy: -180.480874
where:
bonds (distance) C4'-P energy: -35.092
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -51.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -516.444294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.444294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.444294 (E_RNA)
where:
Base-Base interactions energy: -333.030
where: short stacking energy: -166.123
Base-Backbone interact. energy: 0.041
local terms energy: -183.455393
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -414.853737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.853737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.853737 (E_RNA)
where:
Base-Base interactions energy: -257.430
where: short stacking energy: -121.117
Base-Backbone interact. energy: -0.256
local terms energy: -157.168008
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -38.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -380.503963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.503963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.503963 (E_RNA)
where:
Base-Base interactions energy: -226.415
where: short stacking energy: -137.306
Base-Backbone interact. energy: -0.780
local terms energy: -153.309026
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -38.563
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: -34.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -332.203101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.203101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.203101 (E_RNA)
where:
Base-Base interactions energy: -192.147
where: short stacking energy: -108.153
Base-Backbone interact. energy: -0.368
local terms energy: -139.687492
where:
bonds (distance) C4'-P energy: -37.249
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -359.869496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.869496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.869496 (E_RNA)
where:
Base-Base interactions energy: -233.669
where: short stacking energy: -108.045
Base-Backbone interact. energy: -1.286
local terms energy: -124.915002
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -292.338608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.338608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.338608 (E_RNA)
where:
Base-Base interactions energy: -180.783
where: short stacking energy: -86.132
Base-Backbone interact. energy: -0.773
local terms energy: -110.782427
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -276.027463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.027463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.027463 (E_RNA)
where:
Base-Base interactions energy: -159.769
where: short stacking energy: -85.065
Base-Backbone interact. energy: 0.245
local terms energy: -116.503199
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -277.457493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.457493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.457493 (E_RNA)
where:
Base-Base interactions energy: -154.313
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.077
local terms energy: -123.067645
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -584.020774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.020774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.020774 (E_RNA)
where:
Base-Base interactions energy: -383.646
where: short stacking energy: -182.675
Base-Backbone interact. energy: -0.108
local terms energy: -200.266317
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -42.134
flat angles P-C4'-P energy: -26.777
tors. eta vs tors. theta energy: -57.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -547.137448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.137448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.137448 (E_RNA)
where:
Base-Base interactions energy: -366.146
where: short stacking energy: -163.431
Base-Backbone interact. energy: 0.648
local terms energy: -181.638539
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -35.953
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -49.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -500.711861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.711861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.711861 (E_RNA)
where:
Base-Base interactions energy: -309.077
where: short stacking energy: -163.303
Base-Backbone interact. energy: -0.195
local terms energy: -191.439703
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -43.862
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -47.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -432.000213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.000213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.000213 (E_RNA)
where:
Base-Base interactions energy: -273.263
where: short stacking energy: -132.648
Base-Backbone interact. energy: 1.568
local terms energy: -160.305467
where:
bonds (distance) C4'-P energy: -32.794
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -362.345445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.345445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.345445 (E_RNA)
where:
Base-Base interactions energy: -225.511
where: short stacking energy: -121.762
Base-Backbone interact. energy: -0.270
local terms energy: -136.564673
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -28.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -347.730474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.730474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.730474 (E_RNA)
where:
Base-Base interactions energy: -199.866
where: short stacking energy: -103.966
Base-Backbone interact. energy: -0.373
local terms energy: -147.490979
where:
bonds (distance) C4'-P energy: -33.876
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -28.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -345.894645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.894645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.894645 (E_RNA)
where:
Base-Base interactions energy: -216.425
where: short stacking energy: -104.120
Base-Backbone interact. energy: -0.842
local terms energy: -128.626740
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -273.423527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.423527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.423527 (E_RNA)
where:
Base-Base interactions energy: -154.352
where: short stacking energy: -88.508
Base-Backbone interact. energy: -1.409
local terms energy: -117.661576
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -287.658593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.658593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.658593 (E_RNA)
where:
Base-Base interactions energy: -158.288
where: short stacking energy: -82.090
Base-Backbone interact. energy: 0.540
local terms energy: -129.911185
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -264.854094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.854094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.854094 (E_RNA)
where:
Base-Base interactions energy: -154.255
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.630
local terms energy: -109.969518
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -580.832225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.832225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.832225 (E_RNA)
where:
Base-Base interactions energy: -379.798
where: short stacking energy: -197.981
Base-Backbone interact. energy: -0.005
local terms energy: -201.029541
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -34.971
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -60.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -534.632231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.632231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.632231 (E_RNA)
where:
Base-Base interactions energy: -352.829
where: short stacking energy: -156.171
Base-Backbone interact. energy: -0.129
local terms energy: -181.674600
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -54.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -486.741574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.741574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.741574 (E_RNA)
where:
Base-Base interactions energy: -311.826
where: short stacking energy: -152.531
Base-Backbone interact. energy: -0.420
local terms energy: -174.495550
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -34.792
flat angles P-C4'-P energy: -30.093
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -422.570670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.570670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.570670 (E_RNA)
where:
Base-Base interactions energy: -267.313
where: short stacking energy: -132.110
Base-Backbone interact. energy: -0.447
local terms energy: -154.811074
where:
bonds (distance) C4'-P energy: -33.109
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -29.001
tors. eta vs tors. theta energy: -37.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -361.643816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.643816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.643816 (E_RNA)
where:
Base-Base interactions energy: -212.377
where: short stacking energy: -121.417
Base-Backbone interact. energy: -0.330
local terms energy: -148.936606
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -32.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -342.629506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.629506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.629506 (E_RNA)
where:
Base-Base interactions energy: -192.467
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.459
local terms energy: -149.704136
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -27.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -343.292160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.292160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.292160 (E_RNA)
where:
Base-Base interactions energy: -219.943
where: short stacking energy: -98.684
Base-Backbone interact. energy: -5.324
local terms energy: -118.025797
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -298.357591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.357591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.357591 (E_RNA)
where:
Base-Base interactions energy: -167.725
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.452
local terms energy: -130.180948
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -308.345356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.345356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.345356 (E_RNA)
where:
Base-Base interactions energy: -176.798
where: short stacking energy: -93.686
Base-Backbone interact. energy: -0.520
local terms energy: -131.027500
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -251.554353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.554353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.554353 (E_RNA)
where:
Base-Base interactions energy: -156.036
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.848
local terms energy: -94.670192
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -570.914954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.914954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.914954 (E_RNA)
where:
Base-Base interactions energy: -374.334
where: short stacking energy: -189.254
Base-Backbone interact. energy: 0.852
local terms energy: -197.433848
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: -61.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -544.055980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.055980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.055980 (E_RNA)
where:
Base-Base interactions energy: -361.844
where: short stacking energy: -162.991
Base-Backbone interact. energy: -0.760
local terms energy: -181.452285
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -52.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -513.027958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.027958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.027958 (E_RNA)
where:
Base-Base interactions energy: -321.549
where: short stacking energy: -170.537
Base-Backbone interact. energy: -0.150
local terms energy: -191.328903
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -56.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -424.334268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.334268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.334268 (E_RNA)
where:
Base-Base interactions energy: -271.157
where: short stacking energy: -131.788
Base-Backbone interact. energy: -0.491
local terms energy: -152.686812
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -26.347
tors. eta vs tors. theta energy: -29.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -363.534069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.534069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.534069 (E_RNA)
where:
Base-Base interactions energy: -215.641
where: short stacking energy: -119.791
Base-Backbone interact. energy: -0.197
local terms energy: -147.696351
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -32.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -335.689573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.689573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.689573 (E_RNA)
where:
Base-Base interactions energy: -204.984
where: short stacking energy: -107.458
Base-Backbone interact. energy: -0.269
local terms energy: -130.436541
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -314.683329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.683329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.683329 (E_RNA)
where:
Base-Base interactions energy: -188.840
where: short stacking energy: -95.940
Base-Backbone interact. energy: -1.551
local terms energy: -124.292184
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -343.566876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.566876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.566876 (E_RNA)
where:
Base-Base interactions energy: -220.525
where: short stacking energy: -95.462
Base-Backbone interact. energy: 0.547
local terms energy: -123.589040
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -297.534021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.534021 (E_RNA)
where:
Base-Base interactions energy: -166.646
where: short stacking energy: -65.950
Base-Backbone interact. energy: -3.084
local terms energy: -127.804572
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -242.890543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890543 (E_RNA)
where:
Base-Base interactions energy: -136.624
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.197
local terms energy: -106.069039
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -578.575614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.575614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.575614 (E_RNA)
where:
Base-Base interactions energy: -381.109
where: short stacking energy: -193.011
Base-Backbone interact. energy: -0.344
local terms energy: -197.123252
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -40.252
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -57.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -547.514090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.514090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.514090 (E_RNA)
where:
Base-Base interactions energy: -360.105
where: short stacking energy: -178.882
Base-Backbone interact. energy: -1.565
local terms energy: -185.844012
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -36.326
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -52.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -493.984693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.984693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.984693 (E_RNA)
where:
Base-Base interactions energy: -323.551
where: short stacking energy: -162.952
Base-Backbone interact. energy: -0.095
local terms energy: -170.338162
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -425.110683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.110683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.110683 (E_RNA)
where:
Base-Base interactions energy: -271.503
where: short stacking energy: -132.123
Base-Backbone interact. energy: -1.242
local terms energy: -152.365457
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -390.731175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.731175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.731175 (E_RNA)
where:
Base-Base interactions energy: -226.140
where: short stacking energy: -122.769
Base-Backbone interact. energy: -0.514
local terms energy: -164.077323
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -41.955
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -38.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -336.609914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.609914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.609914 (E_RNA)
where:
Base-Base interactions energy: -203.290
where: short stacking energy: -104.410
Base-Backbone interact. energy: -1.010
local terms energy: -132.310101
where:
bonds (distance) C4'-P energy: -31.664
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -316.772855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.772855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.772855 (E_RNA)
where:
Base-Base interactions energy: -188.033
where: short stacking energy: -99.602
Base-Backbone interact. energy: 3.455
local terms energy: -132.194497
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -333.311824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.311824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.311824 (E_RNA)
where:
Base-Base interactions energy: -207.227
where: short stacking energy: -98.855
Base-Backbone interact. energy: -2.876
local terms energy: -123.209341
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -307.355231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.355231 (E_RNA)
where:
Base-Base interactions energy: -180.519
where: short stacking energy: -97.460
Base-Backbone interact. energy: -0.344
local terms energy: -126.492174
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -228.395641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.395641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.395641 (E_RNA)
where:
Base-Base interactions energy: -113.085
where: short stacking energy: -71.226
Base-Backbone interact. energy: 1.370
local terms energy: -116.680989
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -552.610416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.610416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.610416 (E_RNA)
where:
Base-Base interactions energy: -367.632
where: short stacking energy: -170.241
Base-Backbone interact. energy: -0.639
local terms energy: -184.339221
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -37.939
flat angles C4'-P-C4' energy: -37.915
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -555.505338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.505338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.505338 (E_RNA)
where:
Base-Base interactions energy: -368.217
where: short stacking energy: -176.112
Base-Backbone interact. energy: -0.244
local terms energy: -187.043769
where:
bonds (distance) C4'-P energy: -36.318
bonds (distance) P-C4' energy: -26.455
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -54.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -511.884669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.884669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.884669 (E_RNA)
where:
Base-Base interactions energy: -323.861
where: short stacking energy: -157.802
Base-Backbone interact. energy: -0.464
local terms energy: -187.560181
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -50.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -464.381410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.381410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.381410 (E_RNA)
where:
Base-Base interactions energy: -286.476
where: short stacking energy: -134.111
Base-Backbone interact. energy: -0.866
local terms energy: -177.039689
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -33.823
flat angles C4'-P-C4' energy: -39.972
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -46.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -341.976219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.976219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.976219 (E_RNA)
where:
Base-Base interactions energy: -197.490
where: short stacking energy: -116.420
Base-Backbone interact. energy: 0.358
local terms energy: -144.844908
where:
bonds (distance) C4'-P energy: -37.973
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -28.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -327.402152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.402152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.402152 (E_RNA)
where:
Base-Base interactions energy: -180.809
where: short stacking energy: -96.043
Base-Backbone interact. energy: 0.385
local terms energy: -146.977686
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -352.924272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.924272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.924272 (E_RNA)
where:
Base-Base interactions energy: -229.200
where: short stacking energy: -102.578
Base-Backbone interact. energy: -0.945
local terms energy: -122.779320
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -290.900484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.900484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.900484 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -70.930
Base-Backbone interact. energy: -1.242
local terms energy: -135.453337
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -292.410993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.410993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.410993 (E_RNA)
where:
Base-Base interactions energy: -158.804
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.351
local terms energy: -133.255884
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -258.080184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.080184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.080184 (E_RNA)
where:
Base-Base interactions energy: -155.527
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.536
local terms energy: -102.017120
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -554.692258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.692258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.692258 (E_RNA)
where:
Base-Base interactions energy: -367.275
where: short stacking energy: -181.310
Base-Backbone interact. energy: -0.274
local terms energy: -187.143992
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -26.006
tors. eta vs tors. theta energy: -56.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -524.513478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.513478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.513478 (E_RNA)
where:
Base-Base interactions energy: -330.346
where: short stacking energy: -175.379
Base-Backbone interact. energy: -0.416
local terms energy: -193.751537
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -540.276512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.276512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.276512 (E_RNA)
where:
Base-Base interactions energy: -354.134
where: short stacking energy: -173.256
Base-Backbone interact. energy: -0.057
local terms energy: -186.085802
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -55.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -408.885725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.885725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.885725 (E_RNA)
where:
Base-Base interactions energy: -257.976
where: short stacking energy: -119.271
Base-Backbone interact. energy: -0.393
local terms energy: -150.517490
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -357.261425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.261425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.261425 (E_RNA)
where:
Base-Base interactions energy: -208.081
where: short stacking energy: -120.113
Base-Backbone interact. energy: 0.241
local terms energy: -149.420980
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -34.214
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -373.292408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.292408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.292408 (E_RNA)
where:
Base-Base interactions energy: -248.549
where: short stacking energy: -117.584
Base-Backbone interact. energy: -0.012
local terms energy: -124.731360
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -317.621307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.621307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.621307 (E_RNA)
where:
Base-Base interactions energy: -178.630
where: short stacking energy: -84.645
Base-Backbone interact. energy: 0.301
local terms energy: -139.291635
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -308.418793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.418793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.418793 (E_RNA)
where:
Base-Base interactions energy: -197.538
where: short stacking energy: -104.431
Base-Backbone interact. energy: 2.883
local terms energy: -113.764158
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -293.108573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.108573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.108573 (E_RNA)
where:
Base-Base interactions energy: -170.716
where: short stacking energy: -83.242
Base-Backbone interact. energy: -0.338
local terms energy: -122.054760
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -282.378951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.378951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.378951 (E_RNA)
where:
Base-Base interactions energy: -171.189
where: short stacking energy: -79.315
Base-Backbone interact. energy: 6.317
local terms energy: -117.506692
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -551.923473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.923473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.923473 (E_RNA)
where:
Base-Base interactions energy: -357.856
where: short stacking energy: -169.116
Base-Backbone interact. energy: -0.039
local terms energy: -194.028522
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -43.093
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -55.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -507.410494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.410494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.410494 (E_RNA)
where:
Base-Base interactions energy: -317.835
where: short stacking energy: -165.291
Base-Backbone interact. energy: -0.042
local terms energy: -189.533349
where:
bonds (distance) C4'-P energy: -33.465
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: -53.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -566.781475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.781475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.781475 (E_RNA)
where:
Base-Base interactions energy: -375.908
where: short stacking energy: -181.961
Base-Backbone interact. energy: -0.374
local terms energy: -190.500189
where:
bonds (distance) C4'-P energy: -37.274
bonds (distance) P-C4' energy: -31.068
flat angles C4'-P-C4' energy: -36.493
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -55.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -415.394053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.394053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.394053 (E_RNA)
where:
Base-Base interactions energy: -255.809
where: short stacking energy: -131.957
Base-Backbone interact. energy: 0.403
local terms energy: -159.987869
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -41.327
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -40.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -379.966499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.966499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.966499 (E_RNA)
where:
Base-Base interactions energy: -228.291
where: short stacking energy: -105.681
Base-Backbone interact. energy: -0.794
local terms energy: -150.880909
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -348.692669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.692669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.692669 (E_RNA)
where:
Base-Base interactions energy: -220.898
where: short stacking energy: -122.475
Base-Backbone interact. energy: 0.039
local terms energy: -127.833503
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -338.952336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.952336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.952336 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -101.194
Base-Backbone interact. energy: -0.801
local terms energy: -134.998560
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -321.431029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.431029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.431029 (E_RNA)
where:
Base-Base interactions energy: -193.496
where: short stacking energy: -82.000
Base-Backbone interact. energy: -2.528
local terms energy: -125.407380
where:
bonds (distance) C4'-P energy: -32.201
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -299.982393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.982393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.982393 (E_RNA)
where:
Base-Base interactions energy: -179.287
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.694
local terms energy: -120.000696
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -279.350264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.350264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.350264 (E_RNA)
where:
Base-Base interactions energy: -169.419
where: short stacking energy: -70.749
Base-Backbone interact. energy: 1.143
local terms energy: -111.074595
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -546.180267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.180267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.180267 (E_RNA)
where:
Base-Base interactions energy: -359.877
where: short stacking energy: -170.134
Base-Backbone interact. energy: -0.088
local terms energy: -186.215055
where:
bonds (distance) C4'-P energy: -33.188
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -49.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -568.097334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.097334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.097334 (E_RNA)
where:
Base-Base interactions energy: -362.130
where: short stacking energy: -182.460
Base-Backbone interact. energy: -0.054
local terms energy: -205.914079
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -38.253
flat angles C4'-P-C4' energy: -44.373
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -59.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -498.246699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.246699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.246699 (E_RNA)
where:
Base-Base interactions energy: -322.038
where: short stacking energy: -155.792
Base-Backbone interact. energy: -0.007
local terms energy: -176.202453
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -426.515063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.515063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.515063 (E_RNA)
where:
Base-Base interactions energy: -254.161
where: short stacking energy: -130.510
Base-Backbone interact. energy: -0.161
local terms energy: -172.192506
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -28.646
tors. eta vs tors. theta energy: -38.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -384.450585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.450585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.450585 (E_RNA)
where:
Base-Base interactions energy: -237.559
where: short stacking energy: -114.857
Base-Backbone interact. energy: 1.501
local terms energy: -148.392299
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -385.164744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.164744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.164744 (E_RNA)
where:
Base-Base interactions energy: -239.069
where: short stacking energy: -108.647
Base-Backbone interact. energy: -0.794
local terms energy: -145.302072
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -335.106329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.106329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.106329 (E_RNA)
where:
Base-Base interactions energy: -194.452
where: short stacking energy: -107.134
Base-Backbone interact. energy: -1.218
local terms energy: -139.436240
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -322.499596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.499596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.499596 (E_RNA)
where:
Base-Base interactions energy: -191.070
where: short stacking energy: -105.942
Base-Backbone interact. energy: -0.235
local terms energy: -131.194677
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -281.361141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.361141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.361141 (E_RNA)
where:
Base-Base interactions energy: -165.088
where: short stacking energy: -88.561
Base-Backbone interact. energy: -0.321
local terms energy: -115.953099
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -288.377017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.377017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.377017 (E_RNA)
where:
Base-Base interactions energy: -162.230
where: short stacking energy: -81.269
Base-Backbone interact. energy: -1.372
local terms energy: -124.774393
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -570.545256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.545256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.545256 (E_RNA)
where:
Base-Base interactions energy: -382.185
where: short stacking energy: -184.609
Base-Backbone interact. energy: -0.012
local terms energy: -188.348359
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -35.885
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -56.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -543.526893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.526893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.526893 (E_RNA)
where:
Base-Base interactions energy: -353.982
where: short stacking energy: -153.881
Base-Backbone interact. energy: -0.461
local terms energy: -189.084107
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -49.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -506.909836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.909836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.909836 (E_RNA)
where:
Base-Base interactions energy: -317.719
where: short stacking energy: -153.010
Base-Backbone interact. energy: -0.479
local terms energy: -188.711195
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -46.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -439.935039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.935039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.935039 (E_RNA)
where:
Base-Base interactions energy: -283.719
where: short stacking energy: -127.622
Base-Backbone interact. energy: -1.496
local terms energy: -154.720268
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -399.578445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.578445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.578445 (E_RNA)
where:
Base-Base interactions energy: -244.226
where: short stacking energy: -122.266
Base-Backbone interact. energy: -0.980
local terms energy: -154.372294
where:
bonds (distance) C4'-P energy: -36.286
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -385.515045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.515045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.515045 (E_RNA)
where:
Base-Base interactions energy: -253.301
where: short stacking energy: -119.176
Base-Backbone interact. energy: -0.063
local terms energy: -132.151220
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -27.375
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -328.707747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.707747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.707747 (E_RNA)
where:
Base-Base interactions energy: -182.094
where: short stacking energy: -96.190
Base-Backbone interact. energy: -0.367
local terms energy: -146.247112
where:
bonds (distance) C4'-P energy: -36.179
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -324.665426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.665426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.665426 (E_RNA)
where:
Base-Base interactions energy: -191.759
where: short stacking energy: -90.763
Base-Backbone interact. energy: 0.210
local terms energy: -133.116315
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -282.697724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.697724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.697724 (E_RNA)
where:
Base-Base interactions energy: -165.734
where: short stacking energy: -92.105
Base-Backbone interact. energy: -0.429
local terms energy: -116.534276
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -197.564396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564396 (E_RNA)
where:
Base-Base interactions energy: -103.876
where: short stacking energy: -56.533
Base-Backbone interact. energy: -1.026
local terms energy: -92.662489
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -571.156907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.156907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.156907 (E_RNA)
where:
Base-Base interactions energy: -371.946
where: short stacking energy: -179.843
Base-Backbone interact. energy: -0.192
local terms energy: -199.019516
where:
bonds (distance) C4'-P energy: -32.853
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -43.686
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -58.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -543.544346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.544346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.544346 (E_RNA)
where:
Base-Base interactions energy: -358.695
where: short stacking energy: -173.756
Base-Backbone interact. energy: -0.086
local terms energy: -184.763705
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -56.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -501.130669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.130669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.130669 (E_RNA)
where:
Base-Base interactions energy: -316.589
where: short stacking energy: -160.353
Base-Backbone interact. energy: 1.272
local terms energy: -185.813470
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -46.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -435.268393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.268393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.268393 (E_RNA)
where:
Base-Base interactions energy: -273.549
where: short stacking energy: -114.978
Base-Backbone interact. energy: 2.061
local terms energy: -163.780101
where:
bonds (distance) C4'-P energy: -35.054
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -38.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -405.207656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.207656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.207656 (E_RNA)
where:
Base-Base interactions energy: -267.065
where: short stacking energy: -137.071
Base-Backbone interact. energy: -0.418
local terms energy: -137.724473
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -33.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -430.475621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.475621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.475621 (E_RNA)
where:
Base-Base interactions energy: -277.110
where: short stacking energy: -139.270
Base-Backbone interact. energy: -0.647
local terms energy: -152.718976
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -40.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -333.027976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.027976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.027976 (E_RNA)
where:
Base-Base interactions energy: -190.036
where: short stacking energy: -101.504
Base-Backbone interact. energy: 1.035
local terms energy: -144.027332
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -318.259099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.259099 (E_RNA)
where:
Base-Base interactions energy: -190.412
where: short stacking energy: -93.115
Base-Backbone interact. energy: 1.033
local terms energy: -128.879674
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -35.633
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -291.677018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.677018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.677018 (E_RNA)
where:
Base-Base interactions energy: -179.562
where: short stacking energy: -87.104
Base-Backbone interact. energy: 2.346
local terms energy: -114.461419
where:
bonds (distance) C4'-P energy: -28.000
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -167.723259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.723259 (E_RNA)
where:
Base-Base interactions energy: -60.903
where: short stacking energy: -47.189
Base-Backbone interact. energy: 2.498
local terms energy: -109.318253
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -582.938551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.938551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.938551 (E_RNA)
where:
Base-Base interactions energy: -385.830
where: short stacking energy: -196.249
Base-Backbone interact. energy: 0.051
local terms energy: -197.159761
where:
bonds (distance) C4'-P energy: -28.348
bonds (distance) P-C4' energy: -39.225
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -57.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -537.305988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.305988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.305988 (E_RNA)
where:
Base-Base interactions energy: -361.880
where: short stacking energy: -179.856
Base-Backbone interact. energy: -1.209
local terms energy: -174.217874
where:
bonds (distance) C4'-P energy: -32.013
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -54.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -473.707316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.707316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.707316 (E_RNA)
where:
Base-Base interactions energy: -299.407
where: short stacking energy: -148.571
Base-Backbone interact. energy: -0.337
local terms energy: -173.963508
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -434.639660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.639660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.639660 (E_RNA)
where:
Base-Base interactions energy: -270.536
where: short stacking energy: -142.309
Base-Backbone interact. energy: -0.234
local terms energy: -163.869587
where:
bonds (distance) C4'-P energy: -34.849
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -41.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -451.518530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.518530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.518530 (E_RNA)
where:
Base-Base interactions energy: -292.851
where: short stacking energy: -130.296
Base-Backbone interact. energy: -1.422
local terms energy: -157.245409
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -38.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -360.982410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.982410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.982410 (E_RNA)
where:
Base-Base interactions energy: -219.875
where: short stacking energy: -96.716
Base-Backbone interact. energy: 0.283
local terms energy: -141.390512
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -338.634266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.634266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.634266 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.420
local terms energy: -147.345337
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -36.248
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -321.191657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.191657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.191657 (E_RNA)
where:
Base-Base interactions energy: -187.585
where: short stacking energy: -95.751
Base-Backbone interact. energy: -0.139
local terms energy: -133.467153
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -296.517337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.517337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.517337 (E_RNA)
where:
Base-Base interactions energy: -178.074
where: short stacking energy: -81.359
Base-Backbone interact. energy: 2.132
local terms energy: -120.575473
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -148.986390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.986390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.986390 (E_RNA)
where:
Base-Base interactions energy: -50.072
where: short stacking energy: -47.133
Base-Backbone interact. energy: 1.010
local terms energy: -99.923989
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -577.655158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.655158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.655158 (E_RNA)
where:
Base-Base interactions energy: -378.632
where: short stacking energy: -191.795
Base-Backbone interact. energy: 0.001
local terms energy: -199.024717
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -37.746
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -59.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -536.560582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.560582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.560582 (E_RNA)
where:
Base-Base interactions energy: -347.382
where: short stacking energy: -164.871
Base-Backbone interact. energy: -0.126
local terms energy: -189.051890
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -37.443
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -51.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -460.580758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.580758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.580758 (E_RNA)
where:
Base-Base interactions energy: -289.094
where: short stacking energy: -151.302
Base-Backbone interact. energy: -0.078
local terms energy: -171.408322
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -43.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -433.003860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.003860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.003860 (E_RNA)
where:
Base-Base interactions energy: -262.003
where: short stacking energy: -128.446
Base-Backbone interact. energy: -0.276
local terms energy: -170.724550
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -38.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -405.301766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.301766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.301766 (E_RNA)
where:
Base-Base interactions energy: -257.836
where: short stacking energy: -131.908
Base-Backbone interact. energy: -0.862
local terms energy: -146.603331
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -35.339
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -31.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -356.491292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.491292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.491292 (E_RNA)
where:
Base-Base interactions energy: -229.964
where: short stacking energy: -108.844
Base-Backbone interact. energy: 0.166
local terms energy: -126.693400
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -334.618867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.618867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.618867 (E_RNA)
where:
Base-Base interactions energy: -191.532
where: short stacking energy: -98.958
Base-Backbone interact. energy: -0.510
local terms energy: -142.576489
where:
bonds (distance) C4'-P energy: -34.486
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -313.241342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.241342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.241342 (E_RNA)
where:
Base-Base interactions energy: -201.389
where: short stacking energy: -97.196
Base-Backbone interact. energy: -0.537
local terms energy: -111.315190
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -319.241127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.241127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.241127 (E_RNA)
where:
Base-Base interactions energy: -188.614
where: short stacking energy: -96.630
Base-Backbone interact. energy: 0.546
local terms energy: -131.172822
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -153.859159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.859159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.859159 (E_RNA)
where:
Base-Base interactions energy: -56.691
where: short stacking energy: -52.106
Base-Backbone interact. energy: 0.643
local terms energy: -97.811955
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: 3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -594.044092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.044092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.044092 (E_RNA)
where:
Base-Base interactions energy: -391.874
where: short stacking energy: -188.966
Base-Backbone interact. energy: -0.007
local terms energy: -202.163482
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -59.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -528.792906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.792906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.792906 (E_RNA)
where:
Base-Base interactions energy: -348.291
where: short stacking energy: -169.902
Base-Backbone interact. energy: 1.026
local terms energy: -181.527565
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -50.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -447.305346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.305346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.305346 (E_RNA)
where:
Base-Base interactions energy: -281.414
where: short stacking energy: -152.572
Base-Backbone interact. energy: -0.487
local terms energy: -165.404475
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -469.506168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.506168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.506168 (E_RNA)
where:
Base-Base interactions energy: -296.834
where: short stacking energy: -156.141
Base-Backbone interact. energy: -1.433
local terms energy: -171.239144
where:
bonds (distance) C4'-P energy: -36.900
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -47.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -399.674467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.674467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.674467 (E_RNA)
where:
Base-Base interactions energy: -250.262
where: short stacking energy: -118.666
Base-Backbone interact. energy: -0.270
local terms energy: -149.142830
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -350.106483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.106483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.106483 (E_RNA)
where:
Base-Base interactions energy: -220.355
where: short stacking energy: -111.865
Base-Backbone interact. energy: 2.685
local terms energy: -132.436381
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -319.673494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.673494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.673494 (E_RNA)
where:
Base-Base interactions energy: -188.319
where: short stacking energy: -99.274
Base-Backbone interact. energy: -0.535
local terms energy: -130.819535
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -334.112930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.112930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.112930 (E_RNA)
where:
Base-Base interactions energy: -202.945
where: short stacking energy: -98.310
Base-Backbone interact. energy: -0.221
local terms energy: -130.946334
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -292.016263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.016263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.016263 (E_RNA)
where:
Base-Base interactions energy: -174.150
where: short stacking energy: -90.711
Base-Backbone interact. energy: 0.423
local terms energy: -118.289328
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -157.677511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.677511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.677511 (E_RNA)
where:
Base-Base interactions energy: -59.864
where: short stacking energy: -56.751
Base-Backbone interact. energy: 2.817
local terms energy: -100.630317
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: 2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -579.995572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.995572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.995572 (E_RNA)
where:
Base-Base interactions energy: -388.134
where: short stacking energy: -183.811
Base-Backbone interact. energy: -0.036
local terms energy: -191.825974
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -546.200760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.200760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.200760 (E_RNA)
where:
Base-Base interactions energy: -371.733
where: short stacking energy: -171.004
Base-Backbone interact. energy: -0.661
local terms energy: -173.806866
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -53.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -419.588634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.588634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.588634 (E_RNA)
where:
Base-Base interactions energy: -259.955
where: short stacking energy: -136.626
Base-Backbone interact. energy: -1.471
local terms energy: -158.162856
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -37.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -446.861734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.861734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.861734 (E_RNA)
where:
Base-Base interactions energy: -290.789
where: short stacking energy: -143.629
Base-Backbone interact. energy: -0.229
local terms energy: -155.843335
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -39.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -404.701460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.701460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.701460 (E_RNA)
where:
Base-Base interactions energy: -251.687
where: short stacking energy: -125.704
Base-Backbone interact. energy: -0.310
local terms energy: -152.705103
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -33.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -326.913345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.913345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.913345 (E_RNA)
where:
Base-Base interactions energy: -193.489
where: short stacking energy: -94.760
Base-Backbone interact. energy: 0.316
local terms energy: -133.740247
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -38.021
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -326.089112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.089112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.089112 (E_RNA)
where:
Base-Base interactions energy: -207.831
where: short stacking energy: -104.099
Base-Backbone interact. energy: -1.020
local terms energy: -117.238612
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -299.416786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.416786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.416786 (E_RNA)
where:
Base-Base interactions energy: -169.881
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.278
local terms energy: -129.257838
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -282.653757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.653757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.653757 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -87.483
Base-Backbone interact. energy: 1.664
local terms energy: -121.413560
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -160.869156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.869156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.869156 (E_RNA)
where:
Base-Base interactions energy: -61.500
where: short stacking energy: -54.016
Base-Backbone interact. energy: 3.003
local terms energy: -102.372337
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: 5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -555.512014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.512014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.512014 (E_RNA)
where:
Base-Base interactions energy: -366.384
where: short stacking energy: -176.335
Base-Backbone interact. energy: -0.006
local terms energy: -189.121717
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -52.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -571.974067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.974067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.974067 (E_RNA)
where:
Base-Base interactions energy: -378.771
where: short stacking energy: -181.965
Base-Backbone interact. energy: -0.040
local terms energy: -193.163030
where:
bonds (distance) C4'-P energy: -38.188
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -54.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -454.446919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.446919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.446919 (E_RNA)
where:
Base-Base interactions energy: -294.045
where: short stacking energy: -140.927
Base-Backbone interact. energy: -0.629
local terms energy: -159.773194
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -28.757
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -435.838295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.838295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.838295 (E_RNA)
where:
Base-Base interactions energy: -263.828
where: short stacking energy: -136.557
Base-Backbone interact. energy: 0.434
local terms energy: -172.444185
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -40.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -414.949112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.949112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.949112 (E_RNA)
where:
Base-Base interactions energy: -268.084
where: short stacking energy: -118.885
Base-Backbone interact. energy: -1.005
local terms energy: -145.859999
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -27.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -328.406645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.406645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.406645 (E_RNA)
where:
Base-Base interactions energy: -200.458
where: short stacking energy: -111.116
Base-Backbone interact. energy: -1.878
local terms energy: -126.069991
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -368.795136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.795136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.795136 (E_RNA)
where:
Base-Base interactions energy: -228.843
where: short stacking energy: -114.027
Base-Backbone interact. energy: -0.358
local terms energy: -139.593480
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -334.426810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.426810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.426810 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -103.271
Base-Backbone interact. energy: -0.625
local terms energy: -128.822620
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -292.999246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.999246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.999246 (E_RNA)
where:
Base-Base interactions energy: -161.566
where: short stacking energy: -79.048
Base-Backbone interact. energy: 2.096
local terms energy: -133.529296
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -177.966181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.966181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.966181 (E_RNA)
where:
Base-Base interactions energy: -57.707
where: short stacking energy: -49.768
Base-Backbone interact. energy: 0.396
local terms energy: -120.655352
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -566.196966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.196966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.196966 (E_RNA)
where:
Base-Base interactions energy: -379.344
where: short stacking energy: -172.624
Base-Backbone interact. energy: 0.307
local terms energy: -187.160284
where:
bonds (distance) C4'-P energy: -35.137
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -51.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -574.624389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.624389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.624389 (E_RNA)
where:
Base-Base interactions energy: -380.540
where: short stacking energy: -183.309
Base-Backbone interact. energy: -0.004
local terms energy: -194.080599
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -31.155
tors. eta vs tors. theta energy: -55.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -478.908686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.908686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.908686 (E_RNA)
where:
Base-Base interactions energy: -313.570
where: short stacking energy: -150.050
Base-Backbone interact. energy: 0.118
local terms energy: -165.455868
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -441.160474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.160474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.160474 (E_RNA)
where:
Base-Base interactions energy: -284.786
where: short stacking energy: -144.296
Base-Backbone interact. energy: -1.201
local terms energy: -155.173118
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -38.315
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -44.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -406.632233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.632233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.632233 (E_RNA)
where:
Base-Base interactions energy: -260.642
where: short stacking energy: -123.461
Base-Backbone interact. energy: -1.020
local terms energy: -144.969918
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -39.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -345.577825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.577825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.577825 (E_RNA)
where:
Base-Base interactions energy: -195.410
where: short stacking energy: -110.198
Base-Backbone interact. energy: -0.083
local terms energy: -150.084918
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -26.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -350.274073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.274073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.274073 (E_RNA)
where:
Base-Base interactions energy: -220.747
where: short stacking energy: -115.018
Base-Backbone interact. energy: -0.506
local terms energy: -129.020509
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -32.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -323.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.619139 (E_RNA)
where:
Base-Base interactions energy: -183.032
where: short stacking energy: -84.626
Base-Backbone interact. energy: -0.379
local terms energy: -140.208294
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -38.063
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -303.202634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.202634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.202634 (E_RNA)
where:
Base-Base interactions energy: -182.520
where: short stacking energy: -88.516
Base-Backbone interact. energy: -0.087
local terms energy: -120.595475
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -171.064630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.064630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.064630 (E_RNA)
where:
Base-Base interactions energy: -72.705
where: short stacking energy: -52.921
Base-Backbone interact. energy: 2.743
local terms energy: -101.102108
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: 5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -571.207979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.207979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.207979 (E_RNA)
where:
Base-Base interactions energy: -370.064
where: short stacking energy: -184.520
Base-Backbone interact. energy: -0.123
local terms energy: -201.020761
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -39.613
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -61.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -560.459007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.459007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.459007 (E_RNA)
where:
Base-Base interactions energy: -373.436
where: short stacking energy: -164.603
Base-Backbone interact. energy: -0.442
local terms energy: -186.581504
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -36.669
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -483.515449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.515449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.515449 (E_RNA)
where:
Base-Base interactions energy: -314.308
where: short stacking energy: -152.485
Base-Backbone interact. energy: 0.573
local terms energy: -169.779974
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -39.635
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -41.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -436.802103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.802103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.802103 (E_RNA)
where:
Base-Base interactions energy: -287.441
where: short stacking energy: -146.350
Base-Backbone interact. energy: -0.169
local terms energy: -149.191723
where:
bonds (distance) C4'-P energy: -29.743
bonds (distance) P-C4' energy: -34.136
flat angles C4'-P-C4' energy: -37.931
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -29.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -409.441187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.441187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.441187 (E_RNA)
where:
Base-Base interactions energy: -240.237
where: short stacking energy: -123.272
Base-Backbone interact. energy: -0.761
local terms energy: -168.443254
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -343.182262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.182262 (E_RNA)
where:
Base-Base interactions energy: -197.952
where: short stacking energy: -99.862
Base-Backbone interact. energy: -0.358
local terms energy: -144.871546
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -35.865
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -364.117849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.117849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.117849 (E_RNA)
where:
Base-Base interactions energy: -215.277
where: short stacking energy: -110.675
Base-Backbone interact. energy: -0.200
local terms energy: -148.641280
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -312.657233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.657233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.657233 (E_RNA)
where:
Base-Base interactions energy: -180.671
where: short stacking energy: -91.877
Base-Backbone interact. energy: -0.508
local terms energy: -131.478403
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -277.730058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.730058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.730058 (E_RNA)
where:
Base-Base interactions energy: -165.966
where: short stacking energy: -81.030
Base-Backbone interact. energy: 0.216
local terms energy: -111.980502
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -162.978290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.978290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.978290 (E_RNA)
where:
Base-Base interactions energy: -59.128
where: short stacking energy: -53.111
Base-Backbone interact. energy: 0.237
local terms energy: -104.087175
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -576.225351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.225351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.225351 (E_RNA)
where:
Base-Base interactions energy: -381.369
where: short stacking energy: -185.966
Base-Backbone interact. energy: 0.083
local terms energy: -194.938836
where:
bonds (distance) C4'-P energy: -33.516
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -29.155
tors. eta vs tors. theta energy: -56.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -529.206585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.206585 (E_RNA)
where:
Base-Base interactions energy: -357.110
where: short stacking energy: -151.970
Base-Backbone interact. energy: -0.142
local terms energy: -171.954322
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -499.379554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.379554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.379554 (E_RNA)
where:
Base-Base interactions energy: -309.017
where: short stacking energy: -152.979
Base-Backbone interact. energy: -0.009
local terms energy: -190.353857
where:
bonds (distance) C4'-P energy: -36.197
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -49.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -435.865845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.865845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.865845 (E_RNA)
where:
Base-Base interactions energy: -278.000
where: short stacking energy: -120.247
Base-Backbone interact. energy: 3.330
local terms energy: -161.195797
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -27.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -426.631028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.631028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.631028 (E_RNA)
where:
Base-Base interactions energy: -272.983
where: short stacking energy: -124.889
Base-Backbone interact. energy: 0.624
local terms energy: -154.271806
where:
bonds (distance) C4'-P energy: -28.874
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -34.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -343.917984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.917984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.917984 (E_RNA)
where:
Base-Base interactions energy: -195.630
where: short stacking energy: -106.931
Base-Backbone interact. energy: 1.544
local terms energy: -149.831940
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -311.681316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.681316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.681316 (E_RNA)
where:
Base-Base interactions energy: -186.553
where: short stacking energy: -93.777
Base-Backbone interact. energy: 0.690
local terms energy: -125.817787
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -346.662141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.662141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.662141 (E_RNA)
where:
Base-Base interactions energy: -205.963
where: short stacking energy: -92.842
Base-Backbone interact. energy: -1.646
local terms energy: -139.053326
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -301.969151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.969151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.969151 (E_RNA)
where:
Base-Base interactions energy: -187.215
where: short stacking energy: -92.073
Base-Backbone interact. energy: -0.430
local terms energy: -114.324739
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -152.683246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.683246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.683246 (E_RNA)
where:
Base-Base interactions energy: -50.320
where: short stacking energy: -24.799
Base-Backbone interact. energy: 1.314
local terms energy: -103.676815
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -37.682
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: 8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -544.761837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.761837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.761837 (E_RNA)
where:
Base-Base interactions energy: -370.626
where: short stacking energy: -168.677
Base-Backbone interact. energy: -0.343
local terms energy: -173.792547
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -45.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -571.303788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.303788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.303788 (E_RNA)
where:
Base-Base interactions energy: -381.262
where: short stacking energy: -192.220
Base-Backbone interact. energy: -0.083
local terms energy: -189.959430
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -56.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -465.201593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.201593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.201593 (E_RNA)
where:
Base-Base interactions energy: -303.707
where: short stacking energy: -148.768
Base-Backbone interact. energy: -0.426
local terms energy: -161.068100
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -450.232964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.232964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.232964 (E_RNA)
where:
Base-Base interactions energy: -301.325
where: short stacking energy: -143.576
Base-Backbone interact. energy: -0.768
local terms energy: -148.140708
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -33.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -414.340854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.340854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.340854 (E_RNA)
where:
Base-Base interactions energy: -246.215
where: short stacking energy: -119.758
Base-Backbone interact. energy: 1.713
local terms energy: -169.839005
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -24.319
tors. eta vs tors. theta energy: -41.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -343.632903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.632903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.632903 (E_RNA)
where:
Base-Base interactions energy: -204.911
where: short stacking energy: -117.650
Base-Backbone interact. energy: 1.544
local terms energy: -140.266047
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -35.448
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -31.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -338.726574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.726574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.726574 (E_RNA)
where:
Base-Base interactions energy: -207.183
where: short stacking energy: -106.173
Base-Backbone interact. energy: 0.407
local terms energy: -131.950274
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -304.097951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.097951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.097951 (E_RNA)
where:
Base-Base interactions energy: -179.760
where: short stacking energy: -90.250
Base-Backbone interact. energy: 0.063
local terms energy: -124.401133
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -328.997763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.997763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.997763 (E_RNA)
where:
Base-Base interactions energy: -190.244
where: short stacking energy: -100.388
Base-Backbone interact. energy: -0.313
local terms energy: -138.441479
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -170.587260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.587260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.587260 (E_RNA)
where:
Base-Base interactions energy: -64.051
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.453
local terms energy: -106.083324
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -555.617804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.617804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.617804 (E_RNA)
where:
Base-Base interactions energy: -361.330
where: short stacking energy: -158.184
Base-Backbone interact. energy: -0.018
local terms energy: -194.269602
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -48.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -567.095234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.095234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.095234 (E_RNA)
where:
Base-Base interactions energy: -368.592
where: short stacking energy: -174.331
Base-Backbone interact. energy: -0.079
local terms energy: -198.424065
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -41.550
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -57.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -458.157648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.157648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.157648 (E_RNA)
where:
Base-Base interactions energy: -275.288
where: short stacking energy: -135.075
Base-Backbone interact. energy: -0.468
local terms energy: -182.401750
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -40.917
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -421.875039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.875039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.875039 (E_RNA)
where:
Base-Base interactions energy: -262.647
where: short stacking energy: -129.751
Base-Backbone interact. energy: 1.320
local terms energy: -160.548275
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -444.351619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.351619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.351619 (E_RNA)
where:
Base-Base interactions energy: -277.011
where: short stacking energy: -129.924
Base-Backbone interact. energy: -0.627
local terms energy: -166.713193
where:
bonds (distance) C4'-P energy: -42.856
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -334.010159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.010159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.010159 (E_RNA)
where:
Base-Base interactions energy: -193.955
where: short stacking energy: -99.574
Base-Backbone interact. energy: 0.227
local terms energy: -140.282166
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -329.662740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.662740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.662740 (E_RNA)
where:
Base-Base interactions energy: -191.302
where: short stacking energy: -100.088
Base-Backbone interact. energy: -0.532
local terms energy: -137.829081
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -32.349
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -297.292658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.292658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.292658 (E_RNA)
where:
Base-Base interactions energy: -172.851
where: short stacking energy: -81.837
Base-Backbone interact. energy: -2.022
local terms energy: -122.420315
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -298.718253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.718253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.718253 (E_RNA)
where:
Base-Base interactions energy: -178.661
where: short stacking energy: -96.825
Base-Backbone interact. energy: 0.034
local terms energy: -120.090907
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -189.159630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.159630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.159630 (E_RNA)
where:
Base-Base interactions energy: -99.650
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.233
local terms energy: -89.276930
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -570.262977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.262977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.262977 (E_RNA)
where:
Base-Base interactions energy: -385.130
where: short stacking energy: -182.799
Base-Backbone interact. energy: 0.447
local terms energy: -185.580027
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -36.725
flat angles C4'-P-C4' energy: -39.224
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -56.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -529.737878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.737878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.737878 (E_RNA)
where:
Base-Base interactions energy: -338.143
where: short stacking energy: -154.018
Base-Backbone interact. energy: -0.038
local terms energy: -191.557239
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -34.698
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -47.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -472.759527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.759527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.759527 (E_RNA)
where:
Base-Base interactions energy: -292.386
where: short stacking energy: -151.179
Base-Backbone interact. energy: -0.450
local terms energy: -179.923637
where:
bonds (distance) C4'-P energy: -35.496
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -467.169593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.169593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.169593 (E_RNA)
where:
Base-Base interactions energy: -299.389
where: short stacking energy: -167.124
Base-Backbone interact. energy: 0.420
local terms energy: -168.200286
where:
bonds (distance) C4'-P energy: -32.339
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -51.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -417.005786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.005786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.005786 (E_RNA)
where:
Base-Base interactions energy: -264.761
where: short stacking energy: -120.822
Base-Backbone interact. energy: -0.598
local terms energy: -151.646457
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -343.745026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.745026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.745026 (E_RNA)
where:
Base-Base interactions energy: -198.832
where: short stacking energy: -94.050
Base-Backbone interact. energy: -1.947
local terms energy: -142.965948
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -313.919297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.919297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.919297 (E_RNA)
where:
Base-Base interactions energy: -188.135
where: short stacking energy: -87.703
Base-Backbone interact. energy: -1.010
local terms energy: -124.774224
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -326.742911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.742911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.742911 (E_RNA)
where:
Base-Base interactions energy: -186.356
where: short stacking energy: -97.494
Base-Backbone interact. energy: -0.161
local terms energy: -140.226836
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -37.623
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -275.593769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.593769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.593769 (E_RNA)
where:
Base-Base interactions energy: -154.446
where: short stacking energy: -85.077
Base-Backbone interact. energy: -0.286
local terms energy: -120.861637
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -162.549880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.549880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.549880 (E_RNA)
where:
Base-Base interactions energy: -62.711
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.413
local terms energy: -99.425851
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -574.210026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.210026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.210026 (E_RNA)
where:
Base-Base interactions energy: -370.371
where: short stacking energy: -188.677
Base-Backbone interact. energy: 1.187
local terms energy: -205.026977
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -32.899
tors. eta vs tors. theta energy: -60.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -547.363494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.363494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.363494 (E_RNA)
where:
Base-Base interactions energy: -362.106
where: short stacking energy: -163.660
Base-Backbone interact. energy: 0.900
local terms energy: -186.157605
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -55.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -460.248381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.248381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.248381 (E_RNA)
where:
Base-Base interactions energy: -283.907
where: short stacking energy: -147.260
Base-Backbone interact. energy: 0.643
local terms energy: -176.984737
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -44.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -446.327229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.327229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.327229 (E_RNA)
where:
Base-Base interactions energy: -282.276
where: short stacking energy: -130.850
Base-Backbone interact. energy: -0.512
local terms energy: -163.539868
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -27.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -413.342090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.342090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.342090 (E_RNA)
where:
Base-Base interactions energy: -250.251
where: short stacking energy: -117.603
Base-Backbone interact. energy: -0.296
local terms energy: -162.794922
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -355.292428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.292428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.292428 (E_RNA)
where:
Base-Base interactions energy: -211.739
where: short stacking energy: -121.433
Base-Backbone interact. energy: -1.541
local terms energy: -142.012309
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -30.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -308.950896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.950896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.950896 (E_RNA)
where:
Base-Base interactions energy: -197.691
where: short stacking energy: -98.238
Base-Backbone interact. energy: -1.015
local terms energy: -110.244217
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -327.679388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.679388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.679388 (E_RNA)
where:
Base-Base interactions energy: -190.616
where: short stacking energy: -99.370
Base-Backbone interact. energy: 0.634
local terms energy: -137.697352
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -269.090475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.090475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.090475 (E_RNA)
where:
Base-Base interactions energy: -150.709
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.642
local terms energy: -117.738812
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -157.703859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.703859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.703859 (E_RNA)
where:
Base-Base interactions energy: -73.106
where: short stacking energy: -48.789
Base-Backbone interact. energy: 1.167
local terms energy: -85.765159
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: 3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -578.433636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.433636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.433636 (E_RNA)
where:
Base-Base interactions energy: -384.803
where: short stacking energy: -175.722
Base-Backbone interact. energy: -0.166
local terms energy: -193.464830
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -53.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -535.120680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.120680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.120680 (E_RNA)
where:
Base-Base interactions energy: -355.917
where: short stacking energy: -172.292
Base-Backbone interact. energy: 0.285
local terms energy: -179.489097
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -40.561
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -49.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -468.071376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.071376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.071376 (E_RNA)
where:
Base-Base interactions energy: -280.497
where: short stacking energy: -149.969
Base-Backbone interact. energy: -0.087
local terms energy: -187.487450
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -28.596
tors. eta vs tors. theta energy: -48.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -446.938843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.938843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.938843 (E_RNA)
where:
Base-Base interactions energy: -291.563
where: short stacking energy: -146.684
Base-Backbone interact. energy: 0.497
local terms energy: -155.872383
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -36.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -452.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.786972 (E_RNA)
where:
Base-Base interactions energy: -300.980
where: short stacking energy: -148.413
Base-Backbone interact. energy: -0.371
local terms energy: -151.436177
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -333.039525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.039525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.039525 (E_RNA)
where:
Base-Base interactions energy: -201.309
where: short stacking energy: -108.302
Base-Backbone interact. energy: -0.599
local terms energy: -131.131967
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -314.502700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.502700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.502700 (E_RNA)
where:
Base-Base interactions energy: -179.371
where: short stacking energy: -94.600
Base-Backbone interact. energy: -0.180
local terms energy: -134.951200
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -307.897188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.897188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.897188 (E_RNA)
where:
Base-Base interactions energy: -180.795
where: short stacking energy: -90.453
Base-Backbone interact. energy: -0.714
local terms energy: -126.387610
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -266.822085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.822085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.822085 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -83.085
Base-Backbone interact. energy: 0.678
local terms energy: -130.136844
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -34.650
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -160.544273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.544273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.544273 (E_RNA)
where:
Base-Base interactions energy: -55.252
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.141
local terms energy: -105.151408
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -599.257514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.257514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.257514 (E_RNA)
where:
Base-Base interactions energy: -396.203
where: short stacking energy: -190.830
Base-Backbone interact. energy: -0.109
local terms energy: -202.945473
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -41.625
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -60.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -543.491907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.491907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.491907 (E_RNA)
where:
Base-Base interactions energy: -355.849
where: short stacking energy: -171.467
Base-Backbone interact. energy: -0.154
local terms energy: -187.488256
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -475.392168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.392168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.392168 (E_RNA)
where:
Base-Base interactions energy: -298.057
where: short stacking energy: -149.168
Base-Backbone interact. energy: -1.403
local terms energy: -175.932200
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -38.940
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -47.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -460.263901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.263901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.263901 (E_RNA)
where:
Base-Base interactions energy: -302.242
where: short stacking energy: -130.116
Base-Backbone interact. energy: -0.382
local terms energy: -157.639515
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -27.393
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -426.117674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.117674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.117674 (E_RNA)
where:
Base-Base interactions energy: -277.518
where: short stacking energy: -132.578
Base-Backbone interact. energy: -0.844
local terms energy: -147.756279
where:
bonds (distance) C4'-P energy: -32.398
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -30.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -356.304377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.304377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.304377 (E_RNA)
where:
Base-Base interactions energy: -197.423
where: short stacking energy: -111.222
Base-Backbone interact. energy: 0.626
local terms energy: -159.507155
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -318.489450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.489450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.489450 (E_RNA)
where:
Base-Base interactions energy: -176.474
where: short stacking energy: -110.807
Base-Backbone interact. energy: -0.029
local terms energy: -141.985934
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -27.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -280.958774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.958774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.958774 (E_RNA)
where:
Base-Base interactions energy: -167.918
where: short stacking energy: -91.106
Base-Backbone interact. energy: 0.909
local terms energy: -113.950062
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -318.065098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.065098 (E_RNA)
where:
Base-Base interactions energy: -196.033
where: short stacking energy: -101.144
Base-Backbone interact. energy: -0.184
local terms energy: -121.847758
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -152.800940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.800940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.800940 (E_RNA)
where:
Base-Base interactions energy: -55.711
where: short stacking energy: -48.947
Base-Backbone interact. energy: -1.343
local terms energy: -95.747540
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: 3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -576.075263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.075263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.075263 (E_RNA)
where:
Base-Base interactions energy: -385.300
where: short stacking energy: -183.084
Base-Backbone interact. energy: -0.045
local terms energy: -190.730862
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -42.200
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -57.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -547.576032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.576032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.576032 (E_RNA)
where:
Base-Base interactions energy: -367.686
where: short stacking energy: -165.317
Base-Backbone interact. energy: -0.234
local terms energy: -179.656068
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -41.442
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -50.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -494.496363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.496363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.496363 (E_RNA)
where:
Base-Base interactions energy: -322.898
where: short stacking energy: -144.235
Base-Backbone interact. energy: -0.134
local terms energy: -171.463988
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -447.598843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.598843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.598843 (E_RNA)
where:
Base-Base interactions energy: -279.876
where: short stacking energy: -134.386
Base-Backbone interact. energy: -0.265
local terms energy: -167.457566
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -41.243
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -44.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -417.803615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.803615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.803615 (E_RNA)
where:
Base-Base interactions energy: -281.735
where: short stacking energy: -132.331
Base-Backbone interact. energy: 0.675
local terms energy: -136.743537
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -351.972161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.972161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.972161 (E_RNA)
where:
Base-Base interactions energy: -213.108
where: short stacking energy: -112.251
Base-Backbone interact. energy: 0.551
local terms energy: -139.415696
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -35.339
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -335.777537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.777537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.777537 (E_RNA)
where:
Base-Base interactions energy: -190.113
where: short stacking energy: -95.166
Base-Backbone interact. energy: 4.475
local terms energy: -150.139813
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -297.369292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.369292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.369292 (E_RNA)
where:
Base-Base interactions energy: -180.994
where: short stacking energy: -93.854
Base-Backbone interact. energy: -0.284
local terms energy: -116.091357
where:
bonds (distance) C4'-P energy: -32.372
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -292.457342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.457342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.457342 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -91.843
Base-Backbone interact. energy: -0.003
local terms energy: -106.666882
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -154.605060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.605060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.605060 (E_RNA)
where:
Base-Base interactions energy: -42.659
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.415
local terms energy: -111.531498
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -38.950
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -580.251643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.251643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.251643 (E_RNA)
where:
Base-Base interactions energy: -387.490
where: short stacking energy: -192.996
Base-Backbone interact. energy: -0.005
local terms energy: -192.756453
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -39.515
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -58.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -534.826191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.826191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.826191 (E_RNA)
where:
Base-Base interactions energy: -343.436
where: short stacking energy: -163.071
Base-Backbone interact. energy: 1.195
local terms energy: -192.585396
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: -53.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -500.238596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.238596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.238596 (E_RNA)
where:
Base-Base interactions energy: -316.381
where: short stacking energy: -143.142
Base-Backbone interact. energy: 0.291
local terms energy: -184.148849
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -462.882773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.882773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.882773 (E_RNA)
where:
Base-Base interactions energy: -295.850
where: short stacking energy: -154.716
Base-Backbone interact. energy: -0.188
local terms energy: -166.844662
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -38.918
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -48.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -435.305551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.305551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.305551 (E_RNA)
where:
Base-Base interactions energy: -277.640
where: short stacking energy: -115.584
Base-Backbone interact. energy: -0.603
local terms energy: -157.063188
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -352.204667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.204667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.204667 (E_RNA)
where:
Base-Base interactions energy: -196.672
where: short stacking energy: -110.898
Base-Backbone interact. energy: -0.542
local terms energy: -154.990058
where:
bonds (distance) C4'-P energy: -37.274
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -27.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -326.746921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.746921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.746921 (E_RNA)
where:
Base-Base interactions energy: -195.237
where: short stacking energy: -107.200
Base-Backbone interact. energy: -0.256
local terms energy: -131.253427
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -309.966891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.966891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.966891 (E_RNA)
where:
Base-Base interactions energy: -188.075
where: short stacking energy: -93.995
Base-Backbone interact. energy: 3.103
local terms energy: -124.995031
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -300.735253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.735253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.735253 (E_RNA)
where:
Base-Base interactions energy: -177.022
where: short stacking energy: -92.324
Base-Backbone interact. energy: 1.468
local terms energy: -125.181324
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -151.950115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.950115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.950115 (E_RNA)
where:
Base-Base interactions energy: -53.369
where: short stacking energy: -32.572
Base-Backbone interact. energy: -1.739
local terms energy: -96.841638
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: 6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -591.930380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.930380 (E_RNA)
where:
Base-Base interactions energy: -383.984
where: short stacking energy: -197.441
Base-Backbone interact. energy: -0.138
local terms energy: -207.808151
where:
bonds (distance) C4'-P energy: -35.197
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -56.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -559.387763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.387763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.387763 (E_RNA)
where:
Base-Base interactions energy: -368.835
where: short stacking energy: -174.539
Base-Backbone interact. energy: -0.174
local terms energy: -190.378970
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -54.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -501.411064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.411064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.411064 (E_RNA)
where:
Base-Base interactions energy: -330.402
where: short stacking energy: -146.932
Base-Backbone interact. energy: -0.728
local terms energy: -170.280626
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -37.259
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -47.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -466.251672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.251672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.251672 (E_RNA)
where:
Base-Base interactions energy: -296.704
where: short stacking energy: -125.562
Base-Backbone interact. energy: -2.587
local terms energy: -166.959956
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -35.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -443.682764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.682764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.682764 (E_RNA)
where:
Base-Base interactions energy: -278.051
where: short stacking energy: -123.813
Base-Backbone interact. energy: -0.765
local terms energy: -164.867241
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -333.201546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.201546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.201546 (E_RNA)
where:
Base-Base interactions energy: -193.420
where: short stacking energy: -94.207
Base-Backbone interact. energy: -0.231
local terms energy: -139.550767
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -338.075006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.075006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.075006 (E_RNA)
where:
Base-Base interactions energy: -199.692
where: short stacking energy: -111.424
Base-Backbone interact. energy: -0.261
local terms energy: -138.122180
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -304.804981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.804981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.804981 (E_RNA)
where:
Base-Base interactions energy: -180.126
where: short stacking energy: -87.111
Base-Backbone interact. energy: -0.536
local terms energy: -124.142652
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -288.485498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.485498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.485498 (E_RNA)
where:
Base-Base interactions energy: -161.864
where: short stacking energy: -88.941
Base-Backbone interact. energy: -0.365
local terms energy: -126.256724
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -161.607767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.607767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.607767 (E_RNA)
where:
Base-Base interactions energy: -53.736
where: short stacking energy: -51.197
Base-Backbone interact. energy: -0.420
local terms energy: -107.451158
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -584.386710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.386710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.386710 (E_RNA)
where:
Base-Base interactions energy: -380.020
where: short stacking energy: -183.910
Base-Backbone interact. energy: -0.010
local terms energy: -204.356015
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -58.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -550.971648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971648 (E_RNA)
where:
Base-Base interactions energy: -367.683
where: short stacking energy: -173.517
Base-Backbone interact. energy: -0.091
local terms energy: -183.197999
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -54.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -497.330479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.330479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.330479 (E_RNA)
where:
Base-Base interactions energy: -319.583
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.116
local terms energy: -177.631554
where:
bonds (distance) C4'-P energy: -38.815
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -44.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -445.012390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.012390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.012390 (E_RNA)
where:
Base-Base interactions energy: -280.357
where: short stacking energy: -124.376
Base-Backbone interact. energy: -0.798
local terms energy: -163.857631
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -35.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -480.611564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.611564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.611564 (E_RNA)
where:
Base-Base interactions energy: -311.482
where: short stacking energy: -141.070
Base-Backbone interact. energy: -0.861
local terms energy: -168.268465
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -38.593
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -38.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -339.380780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.380780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.380780 (E_RNA)
where:
Base-Base interactions energy: -191.166
where: short stacking energy: -99.264
Base-Backbone interact. energy: 0.927
local terms energy: -149.141273
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -338.253312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.253312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.253312 (E_RNA)
where:
Base-Base interactions energy: -204.101
where: short stacking energy: -86.180
Base-Backbone interact. energy: -1.121
local terms energy: -133.030757
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -313.802527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.802527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.802527 (E_RNA)
where:
Base-Base interactions energy: -170.913
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.762
local terms energy: -142.127447
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -255.366880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.366880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.366880 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.933
local terms energy: -119.217908
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -164.389144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.389144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.389144 (E_RNA)
where:
Base-Base interactions energy: -46.869
where: short stacking energy: -46.587
Base-Backbone interact. energy: -0.611
local terms energy: -116.909399
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: 5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -555.892619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.892619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.892619 (E_RNA)
where:
Base-Base interactions energy: -369.304
where: short stacking energy: -176.943
Base-Backbone interact. energy: -0.106
local terms energy: -186.483040
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -54.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -582.630078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.630078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.630078 (E_RNA)
where:
Base-Base interactions energy: -379.253
where: short stacking energy: -183.598
Base-Backbone interact. energy: -0.010
local terms energy: -203.366808
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -42.864
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -494.220411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.220411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.220411 (E_RNA)
where:
Base-Base interactions energy: -315.922
where: short stacking energy: -127.130
Base-Backbone interact. energy: -0.458
local terms energy: -177.841120
where:
bonds (distance) C4'-P energy: -33.876
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -451.202029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.202029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.202029 (E_RNA)
where:
Base-Base interactions energy: -301.477
where: short stacking energy: -134.082
Base-Backbone interact. energy: -1.117
local terms energy: -148.608551
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -39.989
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -31.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -487.740502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.740502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.740502 (E_RNA)
where:
Base-Base interactions energy: -316.939
where: short stacking energy: -152.688
Base-Backbone interact. energy: -0.321
local terms energy: -170.480602
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -341.547009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.547009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.547009 (E_RNA)
where:
Base-Base interactions energy: -197.123
where: short stacking energy: -93.442
Base-Backbone interact. energy: 0.027
local terms energy: -144.451168
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -323.524798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.524798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.524798 (E_RNA)
where:
Base-Base interactions energy: -191.183
where: short stacking energy: -100.167
Base-Backbone interact. energy: -0.213
local terms energy: -132.129124
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -322.350320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.350320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.350320 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -99.270
Base-Backbone interact. energy: -0.287
local terms energy: -133.603399
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -260.619716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.619716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.619716 (E_RNA)
where:
Base-Base interactions energy: -156.532
where: short stacking energy: -82.106
Base-Backbone interact. energy: -0.202
local terms energy: -103.885296
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -148.641568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.641568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.641568 (E_RNA)
where:
Base-Base interactions energy: -47.178
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.572
local terms energy: -100.891600
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -553.947966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.947966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.947966 (E_RNA)
where:
Base-Base interactions energy: -362.930
where: short stacking energy: -179.311
Base-Backbone interact. energy: -0.051
local terms energy: -190.966207
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -55.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -565.384173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.384173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.384173 (E_RNA)
where:
Base-Base interactions energy: -381.205
where: short stacking energy: -187.352
Base-Backbone interact. energy: -0.069
local terms energy: -184.110055
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -39.844
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -57.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -519.541194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.541194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.541194 (E_RNA)
where:
Base-Base interactions energy: -353.180
where: short stacking energy: -161.791
Base-Backbone interact. energy: -0.383
local terms energy: -165.978123
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -33.318
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -55.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -452.042701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.042701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.042701 (E_RNA)
where:
Base-Base interactions energy: -284.711
where: short stacking energy: -128.443
Base-Backbone interact. energy: -1.075
local terms energy: -166.257279
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -32.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -429.552436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.552436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.552436 (E_RNA)
where:
Base-Base interactions energy: -279.449
where: short stacking energy: -127.235
Base-Backbone interact. energy: -0.053
local terms energy: -150.050906
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -34.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -337.049207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.049207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.049207 (E_RNA)
where:
Base-Base interactions energy: -191.831
where: short stacking energy: -107.288
Base-Backbone interact. energy: -1.920
local terms energy: -143.297880
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -338.669406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.669406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.669406 (E_RNA)
where:
Base-Base interactions energy: -202.781
where: short stacking energy: -94.960
Base-Backbone interact. energy: 1.522
local terms energy: -137.410614
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -348.173724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.173724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.173724 (E_RNA)
where:
Base-Base interactions energy: -201.663
where: short stacking energy: -99.993
Base-Backbone interact. energy: 0.221
local terms energy: -146.732286
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -280.743626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.743626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.743626 (E_RNA)
where:
Base-Base interactions energy: -157.947
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.719
local terms energy: -122.077150
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -149.660795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.660795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.660795 (E_RNA)
where:
Base-Base interactions energy: -57.415
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.383
local terms energy: -91.862913
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -579.960775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.960775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.960775 (E_RNA)
where:
Base-Base interactions energy: -376.938
where: short stacking energy: -183.315
Base-Backbone interact. energy: -0.141
local terms energy: -202.882068
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -60.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -561.942183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.942183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.942183 (E_RNA)
where:
Base-Base interactions energy: -374.783
where: short stacking energy: -177.187
Base-Backbone interact. energy: -0.176
local terms energy: -186.982874
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -26.677
tors. eta vs tors. theta energy: -60.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -514.793785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.793785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.793785 (E_RNA)
where:
Base-Base interactions energy: -358.491
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.903
local terms energy: -155.400082
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -39.350
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -43.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -455.019472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.019472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.019472 (E_RNA)
where:
Base-Base interactions energy: -290.686
where: short stacking energy: -142.240
Base-Backbone interact. energy: -0.225
local terms energy: -164.107802
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -38.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -412.625195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.625195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.625195 (E_RNA)
where:
Base-Base interactions energy: -260.734
where: short stacking energy: -125.134
Base-Backbone interact. energy: 1.901
local terms energy: -153.792231
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -38.714
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -328.954172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.954172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.954172 (E_RNA)
where:
Base-Base interactions energy: -193.416
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.511
local terms energy: -135.026999
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -325.003610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.003610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.003610 (E_RNA)
where:
Base-Base interactions energy: -200.544
where: short stacking energy: -72.257
Base-Backbone interact. energy: -3.293
local terms energy: -121.166658
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -298.747088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.747088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.747088 (E_RNA)
where:
Base-Base interactions energy: -172.964
where: short stacking energy: -86.868
Base-Backbone interact. energy: 1.169
local terms energy: -126.952574
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -318.689345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.689345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.689345 (E_RNA)
where:
Base-Base interactions energy: -182.126
where: short stacking energy: -89.173
Base-Backbone interact. energy: -0.390
local terms energy: -136.173353
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -159.529982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.529982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.529982 (E_RNA)
where:
Base-Base interactions energy: -59.935
where: short stacking energy: -49.059
Base-Backbone interact. energy: -0.115
local terms energy: -99.480174
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -568.304359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.304359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.304359 (E_RNA)
where:
Base-Base interactions energy: -373.103
where: short stacking energy: -186.410
Base-Backbone interact. energy: -0.130
local terms energy: -195.072065
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -27.552
tors. eta vs tors. theta energy: -58.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -544.132422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.132422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.132422 (E_RNA)
where:
Base-Base interactions energy: -370.439
where: short stacking energy: -173.362
Base-Backbone interact. energy: -0.990
local terms energy: -172.703662
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -38.360
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -54.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -500.259842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.259842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.259842 (E_RNA)
where:
Base-Base interactions energy: -328.712
where: short stacking energy: -150.598
Base-Backbone interact. energy: 0.583
local terms energy: -172.131219
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -50.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -469.499074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.499074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.499074 (E_RNA)
where:
Base-Base interactions energy: -290.534
where: short stacking energy: -135.614
Base-Backbone interact. energy: 0.842
local terms energy: -179.807236
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -33.325
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -42.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -425.482442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.482442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.482442 (E_RNA)
where:
Base-Base interactions energy: -268.290
where: short stacking energy: -126.627
Base-Backbone interact. energy: -1.476
local terms energy: -155.716795
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -349.548798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.548798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.548798 (E_RNA)
where:
Base-Base interactions energy: -206.820
where: short stacking energy: -112.731
Base-Backbone interact. energy: -0.363
local terms energy: -142.365795
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -334.649987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.649987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.649987 (E_RNA)
where:
Base-Base interactions energy: -187.262
where: short stacking energy: -102.876
Base-Backbone interact. energy: -0.594
local terms energy: -146.793761
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -32.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -323.163431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.163431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.163431 (E_RNA)
where:
Base-Base interactions energy: -186.085
where: short stacking energy: -94.689
Base-Backbone interact. energy: 0.603
local terms energy: -137.681246
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -291.067145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.067145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.067145 (E_RNA)
where:
Base-Base interactions energy: -170.139
where: short stacking energy: -80.989
Base-Backbone interact. energy: 0.219
local terms energy: -121.147313
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -182.298204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.298204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.298204 (E_RNA)
where:
Base-Base interactions energy: -87.350
where: short stacking energy: -77.220
Base-Backbone interact. energy: 2.071
local terms energy: -97.019312
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -568.622478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.622478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.622478 (E_RNA)
where:
Base-Base interactions energy: -371.709
where: short stacking energy: -171.855
Base-Backbone interact. energy: -0.180
local terms energy: -196.733434
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -53.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -534.714478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.714478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.714478 (E_RNA)
where:
Base-Base interactions energy: -350.071
where: short stacking energy: -170.899
Base-Backbone interact. energy: -0.085
local terms energy: -184.558188
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -38.352
flat angles P-C4'-P energy: -28.672
tors. eta vs tors. theta energy: -51.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -505.303736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.303736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.303736 (E_RNA)
where:
Base-Base interactions energy: -327.183
where: short stacking energy: -151.179
Base-Backbone interact. energy: -0.424
local terms energy: -177.696659
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -48.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -475.554665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.554665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.554665 (E_RNA)
where:
Base-Base interactions energy: -293.481
where: short stacking energy: -148.204
Base-Backbone interact. energy: -0.314
local terms energy: -181.759822
where:
bonds (distance) C4'-P energy: -36.855
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -404.441184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.441184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.441184 (E_RNA)
where:
Base-Base interactions energy: -269.751
where: short stacking energy: -104.991
Base-Backbone interact. energy: 0.477
local terms energy: -135.167017
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -340.453630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.453630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.453630 (E_RNA)
where:
Base-Base interactions energy: -200.788
where: short stacking energy: -107.413
Base-Backbone interact. energy: -0.351
local terms energy: -139.314244
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -350.745913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.745913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.745913 (E_RNA)
where:
Base-Base interactions energy: -207.283
where: short stacking energy: -106.974
Base-Backbone interact. energy: -0.432
local terms energy: -143.031501
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -315.248691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.248691 (E_RNA)
where:
Base-Base interactions energy: -187.891
where: short stacking energy: -81.292
Base-Backbone interact. energy: -0.609
local terms energy: -126.748315
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -299.518557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.518557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.518557 (E_RNA)
where:
Base-Base interactions energy: -171.939
where: short stacking energy: -96.105
Base-Backbone interact. energy: 0.524
local terms energy: -128.103852
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -151.968975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.968975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.968975 (E_RNA)
where:
Base-Base interactions energy: -63.223
where: short stacking energy: -43.668
Base-Backbone interact. energy: -0.904
local terms energy: -87.842522
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: 4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -577.860768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.860768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.860768 (E_RNA)
where:
Base-Base interactions energy: -381.576
where: short stacking energy: -192.612
Base-Backbone interact. energy: -0.194
local terms energy: -196.091089
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -40.794
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -61.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -528.608509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.608509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.608509 (E_RNA)
where:
Base-Base interactions energy: -353.908
where: short stacking energy: -151.372
Base-Backbone interact. energy: -0.660
local terms energy: -174.040633
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -40.656
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -496.046345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.046345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.046345 (E_RNA)
where:
Base-Base interactions energy: -324.289
where: short stacking energy: -148.540
Base-Backbone interact. energy: -0.625
local terms energy: -171.132222
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -39.584
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -41.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -471.974457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.974457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.974457 (E_RNA)
where:
Base-Base interactions energy: -304.734
where: short stacking energy: -129.862
Base-Backbone interact. energy: -0.259
local terms energy: -166.981175
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -434.889759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.889759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.889759 (E_RNA)
where:
Base-Base interactions energy: -270.804
where: short stacking energy: -132.400
Base-Backbone interact. energy: -1.399
local terms energy: -162.686690
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -349.635506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.635506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.635506 (E_RNA)
where:
Base-Base interactions energy: -193.322
where: short stacking energy: -97.168
Base-Backbone interact. energy: 0.399
local terms energy: -156.712591
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -29.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -311.645374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.645374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.645374 (E_RNA)
where:
Base-Base interactions energy: -194.638
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.599
local terms energy: -116.409345
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -318.132802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.132802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.132802 (E_RNA)
where:
Base-Base interactions energy: -167.824
where: short stacking energy: -82.325
Base-Backbone interact. energy: -1.350
local terms energy: -148.958469
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -279.625609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.625609 (E_RNA)
where:
Base-Base interactions energy: -158.596
where: short stacking energy: -86.073
Base-Backbone interact. energy: 3.418
local terms energy: -124.447313
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -179.363053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.363053 (E_RNA)
where:
Base-Base interactions energy: -88.569
where: short stacking energy: -59.772
Base-Backbone interact. energy: 1.566
local terms energy: -92.359817
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -34.222
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: 3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -582.063537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.063537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.063537 (E_RNA)
where:
Base-Base interactions energy: -387.650
where: short stacking energy: -181.294
Base-Backbone interact. energy: -0.114
local terms energy: -194.299852
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -36.791
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -56.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -517.844357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.844357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.844357 (E_RNA)
where:
Base-Base interactions energy: -342.001
where: short stacking energy: -149.136
Base-Backbone interact. energy: -0.270
local terms energy: -175.573200
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -37.294
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -42.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -500.252597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.252597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.252597 (E_RNA)
where:
Base-Base interactions energy: -326.558
where: short stacking energy: -136.325
Base-Backbone interact. energy: -0.184
local terms energy: -173.511112
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -47.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -474.347798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.347798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.347798 (E_RNA)
where:
Base-Base interactions energy: -324.714
where: short stacking energy: -151.317
Base-Backbone interact. energy: -0.237
local terms energy: -149.396218
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -432.770432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.770432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.770432 (E_RNA)
where:
Base-Base interactions energy: -277.752
where: short stacking energy: -122.905
Base-Backbone interact. energy: -0.919
local terms energy: -154.099053
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -33.643
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -29.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -337.244797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.244797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.244797 (E_RNA)
where:
Base-Base interactions energy: -196.686
where: short stacking energy: -101.103
Base-Backbone interact. energy: -0.240
local terms energy: -140.319437
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -335.595872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.595872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.595872 (E_RNA)
where:
Base-Base interactions energy: -200.083
where: short stacking energy: -105.936
Base-Backbone interact. energy: -0.215
local terms energy: -135.298437
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -26.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -300.381472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.381472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.381472 (E_RNA)
where:
Base-Base interactions energy: -170.595
where: short stacking energy: -85.911
Base-Backbone interact. energy: -0.333
local terms energy: -129.453379
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -277.704011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.704011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.704011 (E_RNA)
where:
Base-Base interactions energy: -166.339
where: short stacking energy: -79.247
Base-Backbone interact. energy: 4.896
local terms energy: -116.261808
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -155.981552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.981552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.981552 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -35.672
Base-Backbone interact. energy: -0.296
local terms energy: -113.687475
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -578.587653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.587653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.587653 (E_RNA)
where:
Base-Base interactions energy: -386.464
where: short stacking energy: -185.707
Base-Backbone interact. energy: -0.163
local terms energy: -191.961009
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -55.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -509.431047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.431047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.431047 (E_RNA)
where:
Base-Base interactions energy: -331.558
where: short stacking energy: -156.889
Base-Backbone interact. energy: -0.171
local terms energy: -177.702218
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -37.563
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -47.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -521.306983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.306983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.306983 (E_RNA)
where:
Base-Base interactions energy: -342.759
where: short stacking energy: -158.878
Base-Backbone interact. energy: 1.527
local terms energy: -180.074458
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -46.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -476.343503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.343503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.343503 (E_RNA)
where:
Base-Base interactions energy: -313.669
where: short stacking energy: -145.566
Base-Backbone interact. energy: -0.850
local terms energy: -161.824293
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -36.994
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -39.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -419.658041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.658041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.658041 (E_RNA)
where:
Base-Base interactions energy: -285.521
where: short stacking energy: -127.231
Base-Backbone interact. energy: -0.641
local terms energy: -133.495856
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -319.113235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.113235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.113235 (E_RNA)
where:
Base-Base interactions energy: -179.420
where: short stacking energy: -87.922
Base-Backbone interact. energy: 1.253
local terms energy: -140.947112
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -338.658803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.658803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.658803 (E_RNA)
where:
Base-Base interactions energy: -194.887
where: short stacking energy: -107.470
Base-Backbone interact. energy: -1.150
local terms energy: -142.621753
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -33.265
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -333.872153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.872153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.872153 (E_RNA)
where:
Base-Base interactions energy: -204.070
where: short stacking energy: -114.780
Base-Backbone interact. energy: 0.027
local terms energy: -129.828547
where:
bonds (distance) C4'-P energy: -28.874
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -229.828103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.828103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.828103 (E_RNA)
where:
Base-Base interactions energy: -125.479
where: short stacking energy: -57.726
Base-Backbone interact. energy: -2.042
local terms energy: -102.307086
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -168.718127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.718127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.718127 (E_RNA)
where:
Base-Base interactions energy: -70.510
where: short stacking energy: -51.505
Base-Backbone interact. energy: 0.435
local terms energy: -98.643140
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -578.056707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.056707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.056707 (E_RNA)
where:
Base-Base interactions energy: -387.408
where: short stacking energy: -190.946
Base-Backbone interact. energy: -0.153
local terms energy: -190.496185
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -40.496
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -60.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -503.416932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.416932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.416932 (E_RNA)
where:
Base-Base interactions energy: -323.326
where: short stacking energy: -147.180
Base-Backbone interact. energy: 0.049
local terms energy: -180.140034
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -469.643808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.643808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.643808 (E_RNA)
where:
Base-Base interactions energy: -318.654
where: short stacking energy: -127.865
Base-Backbone interact. energy: 1.145
local terms energy: -152.134525
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -517.635528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.635528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.635528 (E_RNA)
where:
Base-Base interactions energy: -348.698
where: short stacking energy: -151.956
Base-Backbone interact. energy: 0.392
local terms energy: -169.329580
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -42.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -433.606096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.606096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.606096 (E_RNA)
where:
Base-Base interactions energy: -271.873
where: short stacking energy: -138.330
Base-Backbone interact. energy: -1.034
local terms energy: -160.699759
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -40.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -330.539557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.539557 (E_RNA)
where:
Base-Base interactions energy: -199.487
where: short stacking energy: -102.112
Base-Backbone interact. energy: -0.211
local terms energy: -130.841871
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -358.659085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.659085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.659085 (E_RNA)
where:
Base-Base interactions energy: -208.640
where: short stacking energy: -113.813
Base-Backbone interact. energy: 0.687
local terms energy: -150.705954
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -33.944
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -322.180507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.180507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.180507 (E_RNA)
where:
Base-Base interactions energy: -178.264
where: short stacking energy: -97.904
Base-Backbone interact. energy: 0.378
local terms energy: -144.294868
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -35.751
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -257.117402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.117402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.117402 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.492
local terms energy: -129.597839
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -161.595910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.595910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.595910 (E_RNA)
where:
Base-Base interactions energy: -59.925
where: short stacking energy: -53.672
Base-Backbone interact. energy: -0.991
local terms energy: -100.679999
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: 2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -581.754164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.754164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.754164 (E_RNA)
where:
Base-Base interactions energy: -376.526
where: short stacking energy: -178.597
Base-Backbone interact. energy: -0.268
local terms energy: -204.960613
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -56.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -491.939443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.939443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.939443 (E_RNA)
where:
Base-Base interactions energy: -301.393
where: short stacking energy: -141.529
Base-Backbone interact. energy: -1.722
local terms energy: -188.824981
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -42.665
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -46.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -482.366900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.366900 (E_RNA)
where:
Base-Base interactions energy: -325.669
where: short stacking energy: -132.149
Base-Backbone interact. energy: -0.360
local terms energy: -156.338333
where:
bonds (distance) C4'-P energy: -34.783
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -33.779
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -531.046234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.046234 (E_RNA)
where:
Base-Base interactions energy: -347.556
where: short stacking energy: -163.567
Base-Backbone interact. energy: 0.309
local terms energy: -183.798904
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -50.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -428.720884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.720884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.720884 (E_RNA)
where:
Base-Base interactions energy: -275.195
where: short stacking energy: -138.835
Base-Backbone interact. energy: -0.548
local terms energy: -152.977812
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -32.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -344.779327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.779327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.779327 (E_RNA)
where:
Base-Base interactions energy: -205.514
where: short stacking energy: -112.679
Base-Backbone interact. energy: -0.407
local terms energy: -138.857948
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -27.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -323.958939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.958939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.958939 (E_RNA)
where:
Base-Base interactions energy: -181.234
where: short stacking energy: -95.949
Base-Backbone interact. energy: -0.314
local terms energy: -142.410938
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -279.364005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.364005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.364005 (E_RNA)
where:
Base-Base interactions energy: -173.225
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.333
local terms energy: -105.806011
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -286.521383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.521383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.521383 (E_RNA)
where:
Base-Base interactions energy: -166.136
where: short stacking energy: -69.991
Base-Backbone interact. energy: 1.208
local terms energy: -121.593508
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -38.731
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -148.001286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.001286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.001286 (E_RNA)
where:
Base-Base interactions energy: -47.568
where: short stacking energy: -40.080
Base-Backbone interact. energy: 0.333
local terms energy: -100.765960
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -584.817857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.817857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.817857 (E_RNA)
where:
Base-Base interactions energy: -401.237
where: short stacking energy: -189.630
Base-Backbone interact. energy: -0.037
local terms energy: -183.543356
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -57.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -492.926690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.926690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.926690 (E_RNA)
where:
Base-Base interactions energy: -311.297
where: short stacking energy: -145.656
Base-Backbone interact. energy: -0.656
local terms energy: -180.973451
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -45.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -544.473389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.473389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.473389 (E_RNA)
where:
Base-Base interactions energy: -356.346
where: short stacking energy: -169.321
Base-Backbone interact. energy: -0.474
local terms energy: -187.653428
where:
bonds (distance) C4'-P energy: -36.138
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -51.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -455.804072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.804072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.804072 (E_RNA)
where:
Base-Base interactions energy: -292.810
where: short stacking energy: -144.099
Base-Backbone interact. energy: -0.104
local terms energy: -162.890389
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -429.292299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.292299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.292299 (E_RNA)
where:
Base-Base interactions energy: -281.855
where: short stacking energy: -143.877
Base-Backbone interact. energy: -0.270
local terms energy: -147.167227
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -35.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -340.560859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.560859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.560859 (E_RNA)
where:
Base-Base interactions energy: -193.076
where: short stacking energy: -104.680
Base-Backbone interact. energy: -0.374
local terms energy: -147.110884
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -333.708980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.708980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.708980 (E_RNA)
where:
Base-Base interactions energy: -196.301
where: short stacking energy: -109.443
Base-Backbone interact. energy: -1.138
local terms energy: -136.270072
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -288.841460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.841460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.841460 (E_RNA)
where:
Base-Base interactions energy: -166.921
where: short stacking energy: -78.483
Base-Backbone interact. energy: -0.142
local terms energy: -121.779166
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -199.500668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.500668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.500668 (E_RNA)
where:
Base-Base interactions energy: -96.579
where: short stacking energy: -58.922
Base-Backbone interact. energy: 1.043
local terms energy: -103.964059
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -33.137
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: 6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -256.254274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.254274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.254274 (E_RNA)
where:
Base-Base interactions energy: -158.595
where: short stacking energy: -74.442
Base-Backbone interact. energy: -1.324
local terms energy: -96.335325
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -588.890477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.890477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.890477 (E_RNA)
where:
Base-Base interactions energy: -399.669
where: short stacking energy: -193.241
Base-Backbone interact. energy: -1.139
local terms energy: -188.082095
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -36.621
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -58.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -549.315310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.315310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.315310 (E_RNA)
where:
Base-Base interactions energy: -370.776
where: short stacking energy: -163.235
Base-Backbone interact. energy: 0.370
local terms energy: -178.909768
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -39.352
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -49.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -481.920783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.920783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.920783 (E_RNA)
where:
Base-Base interactions energy: -314.581
where: short stacking energy: -157.349
Base-Backbone interact. energy: 0.004
local terms energy: -167.343648
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -33.213
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -448.916516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.916516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.916516 (E_RNA)
where:
Base-Base interactions energy: -290.551
where: short stacking energy: -140.939
Base-Backbone interact. energy: 0.883
local terms energy: -159.248382
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -35.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -416.636955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.636955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.636955 (E_RNA)
where:
Base-Base interactions energy: -263.370
where: short stacking energy: -132.947
Base-Backbone interact. energy: -0.716
local terms energy: -152.551838
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -28.239
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -339.484537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.484537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.484537 (E_RNA)
where:
Base-Base interactions energy: -197.022
where: short stacking energy: -95.978
Base-Backbone interact. energy: 4.199
local terms energy: -146.661690
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -38.052
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -329.523309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.523309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.523309 (E_RNA)
where:
Base-Base interactions energy: -201.785
where: short stacking energy: -108.918
Base-Backbone interact. energy: -0.307
local terms energy: -127.430403
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -304.098219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.098219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.098219 (E_RNA)
where:
Base-Base interactions energy: -181.905
where: short stacking energy: -96.516
Base-Backbone interact. energy: -0.450
local terms energy: -121.742970
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -170.309335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.309335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.309335 (E_RNA)
where:
Base-Base interactions energy: -56.161
where: short stacking energy: -55.801
Base-Backbone interact. energy: -0.185
local terms energy: -113.962812
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -264.985492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.985492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.985492 (E_RNA)
where:
Base-Base interactions energy: -157.504
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.525
local terms energy: -106.955701
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -581.512892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.512892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.512892 (E_RNA)
where:
Base-Base interactions energy: -387.131
where: short stacking energy: -197.878
Base-Backbone interact. energy: -0.003
local terms energy: -194.379716
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -59.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -554.849180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.849180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.849180 (E_RNA)
where:
Base-Base interactions energy: -364.284
where: short stacking energy: -166.302
Base-Backbone interact. energy: -0.014
local terms energy: -190.550785
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -49.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -484.682406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.682406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.682406 (E_RNA)
where:
Base-Base interactions energy: -308.920
where: short stacking energy: -148.823
Base-Backbone interact. energy: -0.131
local terms energy: -175.631532
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -427.733741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.733741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.733741 (E_RNA)
where:
Base-Base interactions energy: -276.131
where: short stacking energy: -122.744
Base-Backbone interact. energy: 0.136
local terms energy: -151.738493
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -28.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -417.487955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.487955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.487955 (E_RNA)
where:
Base-Base interactions energy: -268.782
where: short stacking energy: -121.875
Base-Backbone interact. energy: -0.462
local terms energy: -148.244071
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -346.900071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.900071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.900071 (E_RNA)
where:
Base-Base interactions energy: -201.133
where: short stacking energy: -109.327
Base-Backbone interact. energy: -0.211
local terms energy: -145.556146
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -27.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -320.192426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.192426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.192426 (E_RNA)
where:
Base-Base interactions energy: -179.973
where: short stacking energy: -84.924
Base-Backbone interact. energy: -0.327
local terms energy: -139.892358
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -308.432551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.432551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.432551 (E_RNA)
where:
Base-Base interactions energy: -190.446
where: short stacking energy: -94.581
Base-Backbone interact. energy: 2.958
local terms energy: -120.944477
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -269.599930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.599930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.599930 (E_RNA)
where:
Base-Base interactions energy: -157.300
where: short stacking energy: -84.982
Base-Backbone interact. energy: 1.935
local terms energy: -114.234528
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -180.254175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.254175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.254175 (E_RNA)
where:
Base-Base interactions energy: -55.581
where: short stacking energy: -52.035
Base-Backbone interact. energy: 0.165
local terms energy: -124.838262
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -570.046264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.046264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.046264 (E_RNA)
where:
Base-Base interactions energy: -370.018
where: short stacking energy: -182.168
Base-Backbone interact. energy: -0.276
local terms energy: -199.752097
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -59.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -540.459210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.459210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.459210 (E_RNA)
where:
Base-Base interactions energy: -368.517
where: short stacking energy: -168.506
Base-Backbone interact. energy: -0.070
local terms energy: -171.871977
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -40.124
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -52.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -491.104464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.104464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.104464 (E_RNA)
where:
Base-Base interactions energy: -316.605
where: short stacking energy: -151.943
Base-Backbone interact. energy: -0.513
local terms energy: -173.986411
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -27.273
tors. eta vs tors. theta energy: -41.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -457.224541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.224541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.224541 (E_RNA)
where:
Base-Base interactions energy: -288.348
where: short stacking energy: -136.163
Base-Backbone interact. energy: -0.275
local terms energy: -168.601983
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -43.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -434.640537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.640537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.640537 (E_RNA)
where:
Base-Base interactions energy: -289.407
where: short stacking energy: -127.167
Base-Backbone interact. energy: -1.208
local terms energy: -144.025642
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -26.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -333.487649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.487649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.487649 (E_RNA)
where:
Base-Base interactions energy: -190.118
where: short stacking energy: -103.873
Base-Backbone interact. energy: 0.396
local terms energy: -143.765023
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -345.698333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.698333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.698333 (E_RNA)
where:
Base-Base interactions energy: -192.295
where: short stacking energy: -101.268
Base-Backbone interact. energy: -0.249
local terms energy: -153.154338
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -29.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -307.830261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.830261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.830261 (E_RNA)
where:
Base-Base interactions energy: -174.189
where: short stacking energy: -88.405
Base-Backbone interact. energy: 2.064
local terms energy: -135.705381
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -38.771
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -297.321756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.321756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.321756 (E_RNA)
where:
Base-Base interactions energy: -169.532
where: short stacking energy: -81.728
Base-Backbone interact. energy: 2.053
local terms energy: -129.842777
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -157.367093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.367093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.367093 (E_RNA)
where:
Base-Base interactions energy: -58.453
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.432
local terms energy: -98.482332
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: 2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -575.478794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.478794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.478794 (E_RNA)
where:
Base-Base interactions energy: -382.432
where: short stacking energy: -183.194
Base-Backbone interact. energy: -0.524
local terms energy: -192.522800
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -42.695
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -54.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -553.075367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.075367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.075367 (E_RNA)
where:
Base-Base interactions energy: -366.664
where: short stacking energy: -167.693
Base-Backbone interact. energy: -0.145
local terms energy: -186.266554
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -51.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -452.358387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.358387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.358387 (E_RNA)
where:
Base-Base interactions energy: -284.170
where: short stacking energy: -145.067
Base-Backbone interact. energy: 6.982
local terms energy: -175.170239
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -39.585
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -483.558572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.558572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.558572 (E_RNA)
where:
Base-Base interactions energy: -302.979
where: short stacking energy: -141.559
Base-Backbone interact. energy: -0.642
local terms energy: -179.937680
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -27.991
tors. eta vs tors. theta energy: -50.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -438.701590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.701590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.701590 (E_RNA)
where:
Base-Base interactions energy: -277.512
where: short stacking energy: -129.345
Base-Backbone interact. energy: -0.733
local terms energy: -160.456407
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -33.078
flat angles C4'-P-C4' energy: -37.767
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -334.944358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.944358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.944358 (E_RNA)
where:
Base-Base interactions energy: -194.288
where: short stacking energy: -91.911
Base-Backbone interact. energy: -0.795
local terms energy: -139.861804
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -320.811024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.811024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.811024 (E_RNA)
where:
Base-Base interactions energy: -174.306
where: short stacking energy: -89.186
Base-Backbone interact. energy: -0.252
local terms energy: -146.252907
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -308.430597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.430597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.430597 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.577
local terms energy: -148.240316
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -320.901945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.901945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.901945 (E_RNA)
where:
Base-Base interactions energy: -186.077
where: short stacking energy: -106.076
Base-Backbone interact. energy: 0.761
local terms energy: -135.586162
where:
bonds (distance) C4'-P energy: -36.097
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -159.790577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.790577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.790577 (E_RNA)
where:
Base-Base interactions energy: -50.115
where: short stacking energy: -35.910
Base-Backbone interact. energy: -1.190
local terms energy: -108.485698
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -598.231960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.231960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.231960 (E_RNA)
where:
Base-Base interactions energy: -407.635
where: short stacking energy: -180.686
Base-Backbone interact. energy: 1.895
local terms energy: -192.491906
where:
bonds (distance) C4'-P energy: -37.864
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -55.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -537.681904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.681904 (E_RNA)
where:
Base-Base interactions energy: -368.496
where: short stacking energy: -174.605
Base-Backbone interact. energy: -0.899
local terms energy: -168.286990
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -48.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -485.385657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.385657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.385657 (E_RNA)
where:
Base-Base interactions energy: -322.326
where: short stacking energy: -161.469
Base-Backbone interact. energy: -0.229
local terms energy: -162.829830
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -47.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -448.408617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.408617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.408617 (E_RNA)
where:
Base-Base interactions energy: -291.348
where: short stacking energy: -144.717
Base-Backbone interact. energy: 0.067
local terms energy: -157.127695
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -37.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -452.643349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.643349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.643349 (E_RNA)
where:
Base-Base interactions energy: -292.613
where: short stacking energy: -135.484
Base-Backbone interact. energy: 2.139
local terms energy: -162.169987
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -37.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -328.681760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.681760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.681760 (E_RNA)
where:
Base-Base interactions energy: -197.271
where: short stacking energy: -97.628
Base-Backbone interact. energy: -0.130
local terms energy: -131.280383
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -325.815463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.815463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.815463 (E_RNA)
where:
Base-Base interactions energy: -188.998
where: short stacking energy: -92.997
Base-Backbone interact. energy: -1.616
local terms energy: -135.201959
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -360.282137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.282137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.282137 (E_RNA)
where:
Base-Base interactions energy: -233.510
where: short stacking energy: -103.694
Base-Backbone interact. energy: -0.662
local terms energy: -126.110007
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -300.370394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.370394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.370394 (E_RNA)
where:
Base-Base interactions energy: -168.756
where: short stacking energy: -79.725
Base-Backbone interact. energy: -0.330
local terms energy: -131.284482
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -155.722570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.722570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.722570 (E_RNA)
where:
Base-Base interactions energy: -50.098
where: short stacking energy: -35.546
Base-Backbone interact. energy: -1.906
local terms energy: -103.718619
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -29.854
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -582.176056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.176056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.176056 (E_RNA)
where:
Base-Base interactions energy: -392.158
where: short stacking energy: -185.688
Base-Backbone interact. energy: -0.238
local terms energy: -189.779842
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -40.994
flat angles P-C4'-P energy: -32.099
tors. eta vs tors. theta energy: -55.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -537.576283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.576283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.576283 (E_RNA)
where:
Base-Base interactions energy: -348.028
where: short stacking energy: -164.895
Base-Backbone interact. energy: -0.330
local terms energy: -189.218377
where:
bonds (distance) C4'-P energy: -36.210
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -48.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -469.101035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.101035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.101035 (E_RNA)
where:
Base-Base interactions energy: -318.032
where: short stacking energy: -140.369
Base-Backbone interact. energy: -0.396
local terms energy: -150.673110
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -472.475895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.475895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.475895 (E_RNA)
where:
Base-Base interactions energy: -311.540
where: short stacking energy: -148.703
Base-Backbone interact. energy: -0.831
local terms energy: -160.104789
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -42.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -448.342908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.342908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.342908 (E_RNA)
where:
Base-Base interactions energy: -292.460
where: short stacking energy: -115.917
Base-Backbone interact. energy: -0.921
local terms energy: -154.962164
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -355.782465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.782465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.782465 (E_RNA)
where:
Base-Base interactions energy: -225.286
where: short stacking energy: -107.250
Base-Backbone interact. energy: -1.354
local terms energy: -129.142120
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -388.336091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.336091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.336091 (E_RNA)
where:
Base-Base interactions energy: -253.343
where: short stacking energy: -104.080
Base-Backbone interact. energy: -0.534
local terms energy: -134.458658
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -293.323115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.323115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.323115 (E_RNA)
where:
Base-Base interactions energy: -161.113
where: short stacking energy: -86.862
Base-Backbone interact. energy: 1.178
local terms energy: -133.388426
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -281.178544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.178544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.178544 (E_RNA)
where:
Base-Base interactions energy: -168.455
where: short stacking energy: -88.704
Base-Backbone interact. energy: 0.815
local terms energy: -113.537962
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -157.171947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.171947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.171947 (E_RNA)
where:
Base-Base interactions energy: -58.032
where: short stacking energy: -51.593
Base-Backbone interact. energy: -0.432
local terms energy: -98.708565
where:
bonds (distance) C4'-P energy: -26.025
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -571.206603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.206603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.206603 (E_RNA)
where:
Base-Base interactions energy: -386.158
where: short stacking energy: -186.808
Base-Backbone interact. energy: -0.130
local terms energy: -184.918320
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -32.028
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -26.451
tors. eta vs tors. theta energy: -55.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -535.369782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.369782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.369782 (E_RNA)
where:
Base-Base interactions energy: -350.274
where: short stacking energy: -157.820
Base-Backbone interact. energy: -0.854
local terms energy: -184.241999
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -41.976
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -50.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -468.136285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.136285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.136285 (E_RNA)
where:
Base-Base interactions energy: -307.007
where: short stacking energy: -141.921
Base-Backbone interact. energy: -0.081
local terms energy: -161.048037
where:
bonds (distance) C4'-P energy: -40.471
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -33.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -494.145824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.145824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.145824 (E_RNA)
where:
Base-Base interactions energy: -322.835
where: short stacking energy: -155.963
Base-Backbone interact. energy: -0.391
local terms energy: -170.919599
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -45.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -446.146170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.146170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.146170 (E_RNA)
where:
Base-Base interactions energy: -288.009
where: short stacking energy: -128.405
Base-Backbone interact. energy: -1.146
local terms energy: -156.991763
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -35.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -375.899602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.899602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.899602 (E_RNA)
where:
Base-Base interactions energy: -230.586
where: short stacking energy: -98.881
Base-Backbone interact. energy: 0.500
local terms energy: -145.813011
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -321.883613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.883613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.883613 (E_RNA)
where:
Base-Base interactions energy: -178.629
where: short stacking energy: -89.088
Base-Backbone interact. energy: -0.225
local terms energy: -143.029774
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -310.405940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.405940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.405940 (E_RNA)
where:
Base-Base interactions energy: -172.328
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.382
local terms energy: -137.696117
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -295.858299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.858299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.858299 (E_RNA)
where:
Base-Base interactions energy: -189.909
where: short stacking energy: -88.318
Base-Backbone interact. energy: 0.868
local terms energy: -106.817140
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -146.941860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.941860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.941860 (E_RNA)
where:
Base-Base interactions energy: -49.677
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.274
local terms energy: -96.990717
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -585.092841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.092841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.092841 (E_RNA)
where:
Base-Base interactions energy: -379.343
where: short stacking energy: -193.613
Base-Backbone interact. energy: -0.035
local terms energy: -205.715061
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -61.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -532.685862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.685862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.685862 (E_RNA)
where:
Base-Base interactions energy: -355.576
where: short stacking energy: -169.003
Base-Backbone interact. energy: 0.168
local terms energy: -177.277743
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -44.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -530.083233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.083233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.083233 (E_RNA)
where:
Base-Base interactions energy: -351.174
where: short stacking energy: -166.780
Base-Backbone interact. energy: 0.296
local terms energy: -179.204998
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -52.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -447.497670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.497670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.497670 (E_RNA)
where:
Base-Base interactions energy: -292.260
where: short stacking energy: -127.732
Base-Backbone interact. energy: -1.387
local terms energy: -153.850018
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -33.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -428.821209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.821209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.821209 (E_RNA)
where:
Base-Base interactions energy: -279.967
where: short stacking energy: -128.086
Base-Backbone interact. energy: -0.371
local terms energy: -148.483145
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -380.322587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.322587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.322587 (E_RNA)
where:
Base-Base interactions energy: -256.765
where: short stacking energy: -103.444
Base-Backbone interact. energy: 1.216
local terms energy: -124.773369
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -38.153
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -325.621960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.621960 (E_RNA)
where:
Base-Base interactions energy: -184.772
where: short stacking energy: -88.496
Base-Backbone interact. energy: -0.412
local terms energy: -140.438356
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -30.123
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -310.209203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.209203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.209203 (E_RNA)
where:
Base-Base interactions energy: -182.513
where: short stacking energy: -94.154
Base-Backbone interact. energy: -0.370
local terms energy: -127.326416
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -294.050943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.050943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.050943 (E_RNA)
where:
Base-Base interactions energy: -168.617
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.317
local terms energy: -125.117683
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -153.944753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.944753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.944753 (E_RNA)
where:
Base-Base interactions energy: -51.216
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.356
local terms energy: -102.373363
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: 0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -568.003784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.003784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.003784 (E_RNA)
where:
Base-Base interactions energy: -373.107
where: short stacking energy: -186.332
Base-Backbone interact. energy: -0.243
local terms energy: -194.654159
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -58.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -539.146750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.146750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.146750 (E_RNA)
where:
Base-Base interactions energy: -361.614
where: short stacking energy: -172.779
Base-Backbone interact. energy: 0.415
local terms energy: -177.947816
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -40.744
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -52.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -500.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.485799 (E_RNA)
where:
Base-Base interactions energy: -331.401
where: short stacking energy: -145.723
Base-Backbone interact. energy: -0.028
local terms energy: -169.057488
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -39.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -450.188410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.188410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.188410 (E_RNA)
where:
Base-Base interactions energy: -298.752
where: short stacking energy: -131.926
Base-Backbone interact. energy: 1.046
local terms energy: -152.482691
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -34.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -412.498574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.498574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.498574 (E_RNA)
where:
Base-Base interactions energy: -273.065
where: short stacking energy: -132.150
Base-Backbone interact. energy: 1.824
local terms energy: -141.257406
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -379.234420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.234420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.234420 (E_RNA)
where:
Base-Base interactions energy: -235.714
where: short stacking energy: -101.498
Base-Backbone interact. energy: 1.525
local terms energy: -145.045440
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -335.181843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.181843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.181843 (E_RNA)
where:
Base-Base interactions energy: -190.063
where: short stacking energy: -104.821
Base-Backbone interact. energy: 0.474
local terms energy: -145.593250
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -32.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -315.604876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.604876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.604876 (E_RNA)
where:
Base-Base interactions energy: -177.122
where: short stacking energy: -87.887
Base-Backbone interact. energy: 0.237
local terms energy: -138.719710
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -303.763931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.763931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.763931 (E_RNA)
where:
Base-Base interactions energy: -171.906
where: short stacking energy: -95.638
Base-Backbone interact. energy: -0.169
local terms energy: -131.688446
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -170.023438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.023438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.023438 (E_RNA)
where:
Base-Base interactions energy: -90.803
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.744
local terms energy: -78.476694
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -585.784254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.784254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.784254 (E_RNA)
where:
Base-Base interactions energy: -385.988
where: short stacking energy: -185.056
Base-Backbone interact. energy: -0.570
local terms energy: -199.225738
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -60.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -550.128755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.128755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.128755 (E_RNA)
where:
Base-Base interactions energy: -365.972
where: short stacking energy: -163.028
Base-Backbone interact. energy: -1.427
local terms energy: -182.730718
where:
bonds (distance) C4'-P energy: -36.313
bonds (distance) P-C4' energy: -37.668
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -52.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -506.382860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.382860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.382860 (E_RNA)
where:
Base-Base interactions energy: -326.504
where: short stacking energy: -149.381
Base-Backbone interact. energy: -0.282
local terms energy: -179.596616
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -43.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -449.770732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.770732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.770732 (E_RNA)
where:
Base-Base interactions energy: -288.045
where: short stacking energy: -127.113
Base-Backbone interact. energy: -0.093
local terms energy: -161.632430
where:
bonds (distance) C4'-P energy: -35.369
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -407.596758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.596758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.596758 (E_RNA)
where:
Base-Base interactions energy: -272.117
where: short stacking energy: -131.303
Base-Backbone interact. energy: -1.084
local terms energy: -134.396109
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -393.007280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.007280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.007280 (E_RNA)
where:
Base-Base interactions energy: -240.655
where: short stacking energy: -107.312
Base-Backbone interact. energy: -0.382
local terms energy: -151.970889
where:
bonds (distance) C4'-P energy: -33.719
bonds (distance) P-C4' energy: -35.860
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -31.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -369.442126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.442126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.442126 (E_RNA)
where:
Base-Base interactions energy: -226.250
where: short stacking energy: -105.916
Base-Backbone interact. energy: 1.353
local terms energy: -144.545633
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -31.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -323.508738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.508738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.508738 (E_RNA)
where:
Base-Base interactions energy: -187.670
where: short stacking energy: -104.816
Base-Backbone interact. energy: 1.080
local terms energy: -136.917902
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -34.882
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -309.057244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.057244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.057244 (E_RNA)
where:
Base-Base interactions energy: -171.343
where: short stacking energy: -84.782
Base-Backbone interact. energy: -0.522
local terms energy: -137.191623
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -201.799206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.799206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.799206 (E_RNA)
where:
Base-Base interactions energy: -91.787
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.164
local terms energy: -109.847713
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -583.237660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.237660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.237660 (E_RNA)
where:
Base-Base interactions energy: -384.660
where: short stacking energy: -190.191
Base-Backbone interact. energy: -0.027
local terms energy: -198.550354
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -39.603
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -58.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -550.357135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.357135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.357135 (E_RNA)
where:
Base-Base interactions energy: -357.773
where: short stacking energy: -170.188
Base-Backbone interact. energy: -0.440
local terms energy: -192.144519
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -38.815
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -54.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -485.898599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.898599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.898599 (E_RNA)
where:
Base-Base interactions energy: -317.595
where: short stacking energy: -138.162
Base-Backbone interact. energy: -0.232
local terms energy: -168.071397
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -35.434
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -42.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -456.184962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.184962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.184962 (E_RNA)
where:
Base-Base interactions energy: -301.746
where: short stacking energy: -146.760
Base-Backbone interact. energy: 0.182
local terms energy: -154.620211
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -36.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -430.605325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.605325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.605325 (E_RNA)
where:
Base-Base interactions energy: -271.697
where: short stacking energy: -133.952
Base-Backbone interact. energy: -0.339
local terms energy: -158.569101
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -33.854
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -373.255604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.255604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.255604 (E_RNA)
where:
Base-Base interactions energy: -220.361
where: short stacking energy: -105.179
Base-Backbone interact. energy: -0.649
local terms energy: -152.245951
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -370.960664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.960664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.960664 (E_RNA)
where:
Base-Base interactions energy: -231.321
where: short stacking energy: -110.108
Base-Backbone interact. energy: 0.173
local terms energy: -139.812805
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -37.357
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -331.251804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.251804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.251804 (E_RNA)
where:
Base-Base interactions energy: -192.535
where: short stacking energy: -104.971
Base-Backbone interact. energy: -0.307
local terms energy: -138.409280
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -316.156320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.156320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.156320 (E_RNA)
where:
Base-Base interactions energy: -160.615
where: short stacking energy: -77.727
Base-Backbone interact. energy: -0.470
local terms energy: -155.070921
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -31.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -192.909045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.909045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.909045 (E_RNA)
where:
Base-Base interactions energy: -90.353
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.804
local terms energy: -101.751921
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -33.477
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: 4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -578.489491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.489491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.489491 (E_RNA)
where:
Base-Base interactions energy: -388.675
where: short stacking energy: -187.553
Base-Backbone interact. energy: -0.238
local terms energy: -189.577252
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -58.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -530.365750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.365750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.365750 (E_RNA)
where:
Base-Base interactions energy: -349.188
where: short stacking energy: -152.248
Base-Backbone interact. energy: -0.028
local terms energy: -181.150473
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -39.029
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -46.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -480.355673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.355673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.355673 (E_RNA)
where:
Base-Base interactions energy: -308.347
where: short stacking energy: -149.315
Base-Backbone interact. energy: 0.991
local terms energy: -172.999626
where:
bonds (distance) C4'-P energy: -36.850
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -46.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -471.288576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.288576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.288576 (E_RNA)
where:
Base-Base interactions energy: -310.766
where: short stacking energy: -134.195
Base-Backbone interact. energy: -0.272
local terms energy: -160.250845
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -37.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -402.754417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.754417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.754417 (E_RNA)
where:
Base-Base interactions energy: -254.544
where: short stacking energy: -118.799
Base-Backbone interact. energy: 0.282
local terms energy: -148.492240
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -328.642070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.642070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.642070 (E_RNA)
where:
Base-Base interactions energy: -198.723
where: short stacking energy: -97.514
Base-Backbone interact. energy: -0.834
local terms energy: -129.085439
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -316.550817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.550817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.550817 (E_RNA)
where:
Base-Base interactions energy: -171.373
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.582
local terms energy: -144.595538
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -38.101
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -28.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -329.979038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.979038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.979038 (E_RNA)
where:
Base-Base interactions energy: -197.648
where: short stacking energy: -96.023
Base-Backbone interact. energy: -0.973
local terms energy: -131.358864
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -308.719722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.719722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.719722 (E_RNA)
where:
Base-Base interactions energy: -186.005
where: short stacking energy: -91.731
Base-Backbone interact. energy: 0.316
local terms energy: -123.031141
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -157.750952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.750952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.750952 (E_RNA)
where:
Base-Base interactions energy: -47.022
where: short stacking energy: -33.567
Base-Backbone interact. energy: 2.866
local terms energy: -113.595398
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -578.527780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.527780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.527780 (E_RNA)
where:
Base-Base interactions energy: -375.204
where: short stacking energy: -186.326
Base-Backbone interact. energy: -0.012
local terms energy: -203.311505
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -40.157
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -56.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -530.848042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.848042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.848042 (E_RNA)
where:
Base-Base interactions energy: -349.284
where: short stacking energy: -172.326
Base-Backbone interact. energy: -0.917
local terms energy: -180.647048
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -523.644283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.644283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.644283 (E_RNA)
where:
Base-Base interactions energy: -343.356
where: short stacking energy: -175.184
Base-Backbone interact. energy: -0.029
local terms energy: -180.259320
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -50.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -483.570465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.570465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.570465 (E_RNA)
where:
Base-Base interactions energy: -300.773
where: short stacking energy: -144.727
Base-Backbone interact. energy: -0.090
local terms energy: -182.707354
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -41.585
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -42.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -418.724110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.724110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.724110 (E_RNA)
where:
Base-Base interactions energy: -264.474
where: short stacking energy: -114.499
Base-Backbone interact. energy: 0.271
local terms energy: -154.521133
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -336.374863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.374863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.374863 (E_RNA)
where:
Base-Base interactions energy: -195.531
where: short stacking energy: -103.348
Base-Backbone interact. energy: -0.527
local terms energy: -140.317038
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -325.466938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.466938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.466938 (E_RNA)
where:
Base-Base interactions energy: -199.042
where: short stacking energy: -103.989
Base-Backbone interact. energy: -0.476
local terms energy: -125.949112
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -310.509043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.509043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.509043 (E_RNA)
where:
Base-Base interactions energy: -176.611
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.465
local terms energy: -133.432977
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -266.712945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.712945 (E_RNA)
where:
Base-Base interactions energy: -151.795
where: short stacking energy: -83.753
Base-Backbone interact. energy: -0.621
local terms energy: -114.297836
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -249.773969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.773969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.773969 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -58.709
Base-Backbone interact. energy: 1.281
local terms energy: -115.121545
where:
bonds (distance) C4'-P energy: -31.965
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -547.660443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.660443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.660443 (E_RNA)
where:
Base-Base interactions energy: -367.709
where: short stacking energy: -162.807
Base-Backbone interact. energy: -0.191
local terms energy: -179.760222
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -575.174282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.174282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.174282 (E_RNA)
where:
Base-Base interactions energy: -376.881
where: short stacking energy: -186.904
Base-Backbone interact. energy: 0.388
local terms energy: -198.680559
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -57.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -514.595413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.595413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.595413 (E_RNA)
where:
Base-Base interactions energy: -329.375
where: short stacking energy: -165.940
Base-Backbone interact. energy: -0.097
local terms energy: -185.123314
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -52.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -468.405070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.405070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.405070 (E_RNA)
where:
Base-Base interactions energy: -296.686
where: short stacking energy: -147.922
Base-Backbone interact. energy: -0.932
local terms energy: -170.786855
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -39.878
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -49.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -410.577571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.577571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.577571 (E_RNA)
where:
Base-Base interactions energy: -274.979
where: short stacking energy: -118.586
Base-Backbone interact. energy: 2.120
local terms energy: -137.718343
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -26.884
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -333.741413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.741413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.741413 (E_RNA)
where:
Base-Base interactions energy: -189.247
where: short stacking energy: -91.749
Base-Backbone interact. energy: -0.051
local terms energy: -144.442925
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -331.425534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.425534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.425534 (E_RNA)
where:
Base-Base interactions energy: -200.589
where: short stacking energy: -94.540
Base-Backbone interact. energy: 2.087
local terms energy: -132.923101
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -324.976191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.976191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.976191 (E_RNA)
where:
Base-Base interactions energy: -196.976
where: short stacking energy: -96.327
Base-Backbone interact. energy: 0.517
local terms energy: -128.516891
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -268.461806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.461806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.461806 (E_RNA)
where:
Base-Base interactions energy: -156.940
where: short stacking energy: -83.457
Base-Backbone interact. energy: -0.370
local terms energy: -111.152640
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -256.928437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.928437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.928437 (E_RNA)
where:
Base-Base interactions energy: -130.683
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.711
local terms energy: -124.534454
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -556.052497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.052497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.052497 (E_RNA)
where:
Base-Base interactions energy: -357.336
where: short stacking energy: -176.211
Base-Backbone interact. energy: 1.468
local terms energy: -200.184412
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -55.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -576.288848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.288848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.288848 (E_RNA)
where:
Base-Base interactions energy: -377.070
where: short stacking energy: -185.398
Base-Backbone interact. energy: -0.322
local terms energy: -198.897105
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -58.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -517.813594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.813594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.813594 (E_RNA)
where:
Base-Base interactions energy: -331.172
where: short stacking energy: -168.856
Base-Backbone interact. energy: 0.878
local terms energy: -187.519750
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -52.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -486.516931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.516931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.516931 (E_RNA)
where:
Base-Base interactions energy: -309.195
where: short stacking energy: -149.690
Base-Backbone interact. energy: -0.099
local terms energy: -177.222682
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -35.932
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -47.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -417.440010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.440010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.440010 (E_RNA)
where:
Base-Base interactions energy: -271.807
where: short stacking energy: -129.788
Base-Backbone interact. energy: 0.007
local terms energy: -145.640017
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -348.862173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.862173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.862173 (E_RNA)
where:
Base-Base interactions energy: -191.458
where: short stacking energy: -96.372
Base-Backbone interact. energy: 0.866
local terms energy: -158.269772
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -324.048686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.048686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.048686 (E_RNA)
where:
Base-Base interactions energy: -189.528
where: short stacking energy: -106.558
Base-Backbone interact. energy: -0.358
local terms energy: -134.161863
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -315.814431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.814431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.814431 (E_RNA)
where:
Base-Base interactions energy: -186.550
where: short stacking energy: -97.698
Base-Backbone interact. energy: -0.461
local terms energy: -128.804123
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -33.836
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -169.867425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.867425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.867425 (E_RNA)
where:
Base-Base interactions energy: -61.980
where: short stacking energy: -53.261
Base-Backbone interact. energy: 2.132
local terms energy: -110.019416
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -28.513
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -231.293372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.293372 (E_RNA)
where:
Base-Base interactions energy: -110.836
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.993
local terms energy: -119.464330
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -33.425
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -588.574593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.574593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.574593 (E_RNA)
where:
Base-Base interactions energy: -386.920
where: short stacking energy: -186.477
Base-Backbone interact. energy: -0.018
local terms energy: -201.636438
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -58.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -517.826276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.826276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.826276 (E_RNA)
where:
Base-Base interactions energy: -347.769
where: short stacking energy: -152.491
Base-Backbone interact. energy: -0.694
local terms energy: -169.363300
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -39.679
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -49.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -495.906807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.906807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.906807 (E_RNA)
where:
Base-Base interactions energy: -320.146
where: short stacking energy: -163.923
Base-Backbone interact. energy: -0.201
local terms energy: -175.560631
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -51.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -500.353654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.353654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.353654 (E_RNA)
where:
Base-Base interactions energy: -330.113
where: short stacking energy: -151.244
Base-Backbone interact. energy: -0.198
local terms energy: -170.042025
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -43.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -415.128430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.128430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.128430 (E_RNA)
where:
Base-Base interactions energy: -261.968
where: short stacking energy: -131.533
Base-Backbone interact. energy: -0.288
local terms energy: -152.872637
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -39.543
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -336.332852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.332852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.332852 (E_RNA)
where:
Base-Base interactions energy: -202.979
where: short stacking energy: -105.256
Base-Backbone interact. energy: 1.996
local terms energy: -135.349740
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -343.216113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.216113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.216113 (E_RNA)
where:
Base-Base interactions energy: -197.220
where: short stacking energy: -103.328
Base-Backbone interact. energy: -1.107
local terms energy: -144.889344
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -306.888775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.888775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.888775 (E_RNA)
where:
Base-Base interactions energy: -168.583
where: short stacking energy: -82.545
Base-Backbone interact. energy: -0.965
local terms energy: -137.340615
where:
bonds (distance) C4'-P energy: -38.159
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -37.193
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -259.558239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.558239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.558239 (E_RNA)
where:
Base-Base interactions energy: -145.437
where: short stacking energy: -84.754
Base-Backbone interact. energy: 3.053
local terms energy: -117.174925
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -143.610593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.610593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.610593 (E_RNA)
where:
Base-Base interactions energy: -50.360
where: short stacking energy: -42.308
Base-Backbone interact. energy: 1.443
local terms energy: -94.694129
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -584.166466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.166466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.166466 (E_RNA)
where:
Base-Base interactions energy: -379.545
where: short stacking energy: -189.135
Base-Backbone interact. energy: -0.019
local terms energy: -204.602482
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -42.715
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -60.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -527.866552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.866552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.866552 (E_RNA)
where:
Base-Base interactions energy: -347.710
where: short stacking energy: -177.703
Base-Backbone interact. energy: -0.026
local terms energy: -180.130895
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -40.213
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -55.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -518.658711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.658711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.658711 (E_RNA)
where:
Base-Base interactions energy: -348.271
where: short stacking energy: -167.871
Base-Backbone interact. energy: 0.001
local terms energy: -170.388617
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -30.048
tors. eta vs tors. theta energy: -49.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -479.049838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.049838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.049838 (E_RNA)
where:
Base-Base interactions energy: -307.890
where: short stacking energy: -140.995
Base-Backbone interact. energy: 0.882
local terms energy: -172.041685
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -39.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -426.688295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.688295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.688295 (E_RNA)
where:
Base-Base interactions energy: -267.942
where: short stacking energy: -135.098
Base-Backbone interact. energy: -0.834
local terms energy: -157.911610
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -35.868
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -345.761192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.761192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.761192 (E_RNA)
where:
Base-Base interactions energy: -208.957
where: short stacking energy: -94.557
Base-Backbone interact. energy: -0.836
local terms energy: -135.968007
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -320.896210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.896210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.896210 (E_RNA)
where:
Base-Base interactions energy: -182.002
where: short stacking energy: -95.444
Base-Backbone interact. energy: -0.757
local terms energy: -138.137874
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -307.242354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.242354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.242354 (E_RNA)
where:
Base-Base interactions energy: -183.069
where: short stacking energy: -94.203
Base-Backbone interact. energy: -0.189
local terms energy: -123.984680
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -275.219074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.219074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.219074 (E_RNA)
where:
Base-Base interactions energy: -166.151
where: short stacking energy: -83.027
Base-Backbone interact. energy: -0.676
local terms energy: -108.392918
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -155.236437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.236437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.236437 (E_RNA)
where:
Base-Base interactions energy: -61.981
where: short stacking energy: -48.931
Base-Backbone interact. energy: 0.308
local terms energy: -93.563637
where:
bonds (distance) C4'-P energy: -27.262
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: 6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -551.529803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.529803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.529803 (E_RNA)
where:
Base-Base interactions energy: -357.733
where: short stacking energy: -180.140
Base-Backbone interact. energy: -0.029
local terms energy: -193.767349
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -58.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -571.741399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.741399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.741399 (E_RNA)
where:
Base-Base interactions energy: -379.536
where: short stacking energy: -183.301
Base-Backbone interact. energy: -0.022
local terms energy: -192.183558
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -39.382
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -60.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -526.314623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.314623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.314623 (E_RNA)
where:
Base-Base interactions energy: -356.322
where: short stacking energy: -164.274
Base-Backbone interact. energy: 1.367
local terms energy: -171.359982
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -36.061
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -47.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -498.870156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.870156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.870156 (E_RNA)
where:
Base-Base interactions energy: -330.759
where: short stacking energy: -150.547
Base-Backbone interact. energy: -1.316
local terms energy: -166.795460
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -34.711
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -45.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -405.935066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.935066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.935066 (E_RNA)
where:
Base-Base interactions energy: -274.794
where: short stacking energy: -127.927
Base-Backbone interact. energy: 3.772
local terms energy: -134.912674
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -334.599943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.599943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.599943 (E_RNA)
where:
Base-Base interactions energy: -180.917
where: short stacking energy: -90.044
Base-Backbone interact. energy: -0.495
local terms energy: -153.187466
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -335.402376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.402376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.402376 (E_RNA)
where:
Base-Base interactions energy: -186.962
where: short stacking energy: -93.568
Base-Backbone interact. energy: -1.220
local terms energy: -147.220400
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -37.822
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -300.491709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.491709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.491709 (E_RNA)
where:
Base-Base interactions energy: -179.260
where: short stacking energy: -96.801
Base-Backbone interact. energy: -1.331
local terms energy: -119.900879
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -265.416429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.416429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.416429 (E_RNA)
where:
Base-Base interactions energy: -141.118
where: short stacking energy: -85.005
Base-Backbone interact. energy: -0.014
local terms energy: -124.285137
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -153.634592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.634592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.634592 (E_RNA)
where:
Base-Base interactions energy: -53.431
where: short stacking energy: -51.887
Base-Backbone interact. energy: 1.161
local terms energy: -101.364747
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -554.975004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.975004 (E_RNA)
where:
Base-Base interactions energy: -359.950
where: short stacking energy: -177.353
Base-Backbone interact. energy: -0.592
local terms energy: -194.432419
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -55.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -529.905116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.905116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.905116 (E_RNA)
where:
Base-Base interactions energy: -347.822
where: short stacking energy: -153.752
Base-Backbone interact. energy: 0.398
local terms energy: -182.481639
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -547.296610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.296610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.296610 (E_RNA)
where:
Base-Base interactions energy: -365.617
where: short stacking energy: -173.635
Base-Backbone interact. energy: 0.037
local terms energy: -181.716807
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -54.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -483.236416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.236416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.236416 (E_RNA)
where:
Base-Base interactions energy: -319.156
where: short stacking energy: -140.483
Base-Backbone interact. energy: 0.310
local terms energy: -164.390485
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -41.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -413.648254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.648254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.648254 (E_RNA)
where:
Base-Base interactions energy: -261.203
where: short stacking energy: -129.259
Base-Backbone interact. energy: -1.357
local terms energy: -151.088589
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -323.782967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.782967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.782967 (E_RNA)
where:
Base-Base interactions energy: -190.214
where: short stacking energy: -90.390
Base-Backbone interact. energy: 2.113
local terms energy: -135.681639
where:
bonds (distance) C4'-P energy: -36.138
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -329.928990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.928990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.928990 (E_RNA)
where:
Base-Base interactions energy: -189.191
where: short stacking energy: -90.038
Base-Backbone interact. energy: -1.956
local terms energy: -138.782843
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -313.042977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.042977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.042977 (E_RNA)
where:
Base-Base interactions energy: -181.869
where: short stacking energy: -89.101
Base-Backbone interact. energy: 2.837
local terms energy: -134.010597
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -289.694655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.694655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.694655 (E_RNA)
where:
Base-Base interactions energy: -165.776
where: short stacking energy: -77.524
Base-Backbone interact. energy: 2.491
local terms energy: -126.409637
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -158.749966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.749966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.749966 (E_RNA)
where:
Base-Base interactions energy: -62.444
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.006
local terms energy: -96.300480
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -547.155012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.155012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.155012 (E_RNA)
where:
Base-Base interactions energy: -366.212
where: short stacking energy: -155.823
Base-Backbone interact. energy: -0.314
local terms energy: -180.628942
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -542.211254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.211254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.211254 (E_RNA)
where:
Base-Base interactions energy: -365.171
where: short stacking energy: -177.250
Base-Backbone interact. energy: -0.578
local terms energy: -176.462456
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -54.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -545.146011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.146011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.146011 (E_RNA)
where:
Base-Base interactions energy: -357.735
where: short stacking energy: -185.767
Base-Backbone interact. energy: -0.225
local terms energy: -187.185669
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -39.763
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -61.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -462.923950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.923950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.923950 (E_RNA)
where:
Base-Base interactions energy: -292.093
where: short stacking energy: -128.849
Base-Backbone interact. energy: 0.251
local terms energy: -171.082117
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -38.351
flat angles P-C4'-P energy: -28.499
tors. eta vs tors. theta energy: -40.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -411.823410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.823410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.823410 (E_RNA)
where:
Base-Base interactions energy: -254.225
where: short stacking energy: -127.991
Base-Backbone interact. energy: -1.221
local terms energy: -156.377719
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -32.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -340.556124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.556124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.556124 (E_RNA)
where:
Base-Base interactions energy: -187.799
where: short stacking energy: -85.891
Base-Backbone interact. energy: -0.668
local terms energy: -152.089223
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -316.479615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.479615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.479615 (E_RNA)
where:
Base-Base interactions energy: -189.015
where: short stacking energy: -102.973
Base-Backbone interact. energy: 0.389
local terms energy: -127.854227
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -320.027989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.027989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.027989 (E_RNA)
where:
Base-Base interactions energy: -193.524
where: short stacking energy: -88.311
Base-Backbone interact. energy: -0.407
local terms energy: -126.097236
where:
bonds (distance) C4'-P energy: -30.665
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -276.559803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.559803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.559803 (E_RNA)
where:
Base-Base interactions energy: -165.576
where: short stacking energy: -81.841
Base-Backbone interact. energy: 0.925
local terms energy: -111.909113
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -147.661048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.661048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.661048 (E_RNA)
where:
Base-Base interactions energy: -64.838
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.206
local terms energy: -82.616989
where:
bonds (distance) C4'-P energy: -31.743
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: 6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -545.315056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.315056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.315056 (E_RNA)
where:
Base-Base interactions energy: -358.604
where: short stacking energy: -171.733
Base-Backbone interact. energy: -0.334
local terms energy: -186.377288
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -52.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -574.280287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.280287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.280287 (E_RNA)
where:
Base-Base interactions energy: -383.087
where: short stacking energy: -196.237
Base-Backbone interact. energy: 0.733
local terms energy: -191.925497
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -59.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -524.608692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.608692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.608692 (E_RNA)
where:
Base-Base interactions energy: -344.207
where: short stacking energy: -161.557
Base-Backbone interact. energy: -0.721
local terms energy: -179.680910
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -49.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -498.473336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.473336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.473336 (E_RNA)
where:
Base-Base interactions energy: -313.107
where: short stacking energy: -150.443
Base-Backbone interact. energy: -0.287
local terms energy: -185.079005
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: -50.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -432.152712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.152712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.152712 (E_RNA)
where:
Base-Base interactions energy: -283.886
where: short stacking energy: -137.625
Base-Backbone interact. energy: -0.548
local terms energy: -147.718078
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -36.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -355.413942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.413942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.413942 (E_RNA)
where:
Base-Base interactions energy: -205.349
where: short stacking energy: -95.017
Base-Backbone interact. energy: 0.094
local terms energy: -150.158215
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -332.669493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.669493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.669493 (E_RNA)
where:
Base-Base interactions energy: -201.886
where: short stacking energy: -101.665
Base-Backbone interact. energy: -0.944
local terms energy: -129.839818
where:
bonds (distance) C4'-P energy: -27.871
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -310.786361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.786361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.786361 (E_RNA)
where:
Base-Base interactions energy: -167.629
where: short stacking energy: -78.303
Base-Backbone interact. energy: -0.310
local terms energy: -142.847902
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -301.400383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.400383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.400383 (E_RNA)
where:
Base-Base interactions energy: -174.088
where: short stacking energy: -81.951
Base-Backbone interact. energy: -0.421
local terms energy: -126.891599
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -156.674800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.674800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.674800 (E_RNA)
where:
Base-Base interactions energy: -59.826
where: short stacking energy: -41.523
Base-Backbone interact. energy: 0.608
local terms energy: -97.456734
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: 6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -581.023113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.023113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.023113 (E_RNA)
where:
Base-Base interactions energy: -383.611
where: short stacking energy: -193.661
Base-Backbone interact. energy: -0.034
local terms energy: -197.377480
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -59.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -532.290247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.290247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.290247 (E_RNA)
where:
Base-Base interactions energy: -342.272
where: short stacking energy: -166.127
Base-Backbone interact. energy: -0.991
local terms energy: -189.027213
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -54.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -513.874277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.874277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.874277 (E_RNA)
where:
Base-Base interactions energy: -338.650
where: short stacking energy: -136.018
Base-Backbone interact. energy: -0.293
local terms energy: -174.930949
where:
bonds (distance) C4'-P energy: -35.419
bonds (distance) P-C4' energy: -37.489
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -43.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -492.281184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.281184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.281184 (E_RNA)
where:
Base-Base interactions energy: -319.664
where: short stacking energy: -158.881
Base-Backbone interact. energy: -1.285
local terms energy: -171.332457
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -34.269
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -417.668584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.668584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.668584 (E_RNA)
where:
Base-Base interactions energy: -267.735
where: short stacking energy: -127.746
Base-Backbone interact. energy: -1.203
local terms energy: -148.731182
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -30.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -381.341820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.341820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.341820 (E_RNA)
where:
Base-Base interactions energy: -236.566
where: short stacking energy: -115.318
Base-Backbone interact. energy: -0.625
local terms energy: -144.151187
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -315.307133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.307133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.307133 (E_RNA)
where:
Base-Base interactions energy: -184.900
where: short stacking energy: -90.378
Base-Backbone interact. energy: -1.338
local terms energy: -129.069314
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -307.044899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.044899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.044899 (E_RNA)
where:
Base-Base interactions energy: -176.188
where: short stacking energy: -84.994
Base-Backbone interact. energy: -0.922
local terms energy: -129.935153
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -305.674349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.674349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.674349 (E_RNA)
where:
Base-Base interactions energy: -171.397
where: short stacking energy: -86.738
Base-Backbone interact. energy: 0.827
local terms energy: -135.104634
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -30.671
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -144.947626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.947626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.947626 (E_RNA)
where:
Base-Base interactions energy: -50.369
where: short stacking energy: -43.469
Base-Backbone interact. energy: -1.002
local terms energy: -93.577283
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -32.702
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -589.999796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.999796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.999796 (E_RNA)
where:
Base-Base interactions energy: -386.193
where: short stacking energy: -177.288
Base-Backbone interact. energy: -0.061
local terms energy: -203.746208
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -38.761
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -62.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -539.344680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.344680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.344680 (E_RNA)
where:
Base-Base interactions energy: -344.502
where: short stacking energy: -164.179
Base-Backbone interact. energy: -0.007
local terms energy: -194.834955
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -52.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -521.536928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.536928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.536928 (E_RNA)
where:
Base-Base interactions energy: -338.099
where: short stacking energy: -165.903
Base-Backbone interact. energy: -0.081
local terms energy: -183.356933
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -31.418
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -482.329054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.329054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.329054 (E_RNA)
where:
Base-Base interactions energy: -316.602
where: short stacking energy: -155.889
Base-Backbone interact. energy: -0.366
local terms energy: -165.360700
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -50.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -429.081359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.081359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.081359 (E_RNA)
where:
Base-Base interactions energy: -265.696
where: short stacking energy: -122.216
Base-Backbone interact. energy: -0.867
local terms energy: -162.518361
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -32.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -346.889496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.889496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.889496 (E_RNA)
where:
Base-Base interactions energy: -200.671
where: short stacking energy: -105.090
Base-Backbone interact. energy: -0.602
local terms energy: -145.616967
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -27.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -380.754379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.754379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.754379 (E_RNA)
where:
Base-Base interactions energy: -227.682
where: short stacking energy: -100.348
Base-Backbone interact. energy: -0.496
local terms energy: -152.575883
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -323.097909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.097909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.097909 (E_RNA)
where:
Base-Base interactions energy: -181.754
where: short stacking energy: -95.511
Base-Backbone interact. energy: 0.629
local terms energy: -141.973428
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -288.742838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.742838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.742838 (E_RNA)
where:
Base-Base interactions energy: -167.858
where: short stacking energy: -89.521
Base-Backbone interact. energy: -0.585
local terms energy: -120.300517
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -151.122113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.122113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.122113 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -36.476
Base-Backbone interact. energy: -1.595
local terms energy: -105.809003
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: 6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -578.721456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.721456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.721456 (E_RNA)
where:
Base-Base interactions energy: -389.589
where: short stacking energy: -186.011
Base-Backbone interact. energy: 0.591
local terms energy: -189.723912
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -54.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -541.871924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.871924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.871924 (E_RNA)
where:
Base-Base interactions energy: -369.154
where: short stacking energy: -168.493
Base-Backbone interact. energy: -0.690
local terms energy: -172.027842
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: -49.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -519.226450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.226450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.226450 (E_RNA)
where:
Base-Base interactions energy: -336.735
where: short stacking energy: -169.609
Base-Backbone interact. energy: -0.029
local terms energy: -182.462855
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -50.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -472.839720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.839720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.839720 (E_RNA)
where:
Base-Base interactions energy: -307.461
where: short stacking energy: -143.645
Base-Backbone interact. energy: -0.196
local terms energy: -165.182724
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -40.356
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -39.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -393.225163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.225163 (E_RNA)
where:
Base-Base interactions energy: -249.081
where: short stacking energy: -109.467
Base-Backbone interact. energy: 1.627
local terms energy: -145.770899
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -340.543087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.543087 (E_RNA)
where:
Base-Base interactions energy: -204.796
where: short stacking energy: -102.888
Base-Backbone interact. energy: 0.626
local terms energy: -136.373162
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -363.339451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.339451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.339451 (E_RNA)
where:
Base-Base interactions energy: -218.669
where: short stacking energy: -103.884
Base-Backbone interact. energy: -0.798
local terms energy: -143.872691
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -301.985929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.985929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.985929 (E_RNA)
where:
Base-Base interactions energy: -184.721
where: short stacking energy: -88.957
Base-Backbone interact. energy: 0.457
local terms energy: -117.721363
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -171.870072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.870072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.870072 (E_RNA)
where:
Base-Base interactions energy: -62.652
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.575
local terms energy: -108.643301
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -262.048036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.048036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.048036 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.656
local terms energy: -115.284561
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -584.091614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.091614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.091614 (E_RNA)
where:
Base-Base interactions energy: -375.847
where: short stacking energy: -183.571
Base-Backbone interact. energy: -0.267
local terms energy: -207.977190
where:
bonds (distance) C4'-P energy: -37.721
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -544.320951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.320951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.320951 (E_RNA)
where:
Base-Base interactions energy: -354.884
where: short stacking energy: -168.965
Base-Backbone interact. energy: -0.171
local terms energy: -189.266262
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -50.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -521.781801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.781801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.781801 (E_RNA)
where:
Base-Base interactions energy: -337.495
where: short stacking energy: -157.050
Base-Backbone interact. energy: -0.424
local terms energy: -183.861993
where:
bonds (distance) C4'-P energy: -40.147
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -42.341
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -470.493129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.493129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.493129 (E_RNA)
where:
Base-Base interactions energy: -315.436
where: short stacking energy: -154.991
Base-Backbone interact. energy: 4.830
local terms energy: -159.887090
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -37.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -394.027073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.027073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.027073 (E_RNA)
where:
Base-Base interactions energy: -241.091
where: short stacking energy: -105.465
Base-Backbone interact. energy: -0.608
local terms energy: -152.328749
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -342.429098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.429098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.429098 (E_RNA)
where:
Base-Base interactions energy: -202.511
where: short stacking energy: -95.455
Base-Backbone interact. energy: -0.282
local terms energy: -139.635829
where:
bonds (distance) C4'-P energy: -39.057
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -314.199898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.199898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.199898 (E_RNA)
where:
Base-Base interactions energy: -181.550
where: short stacking energy: -88.027
Base-Backbone interact. energy: 0.875
local terms energy: -133.524729
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -315.750050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.750050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.750050 (E_RNA)
where:
Base-Base interactions energy: -187.083
where: short stacking energy: -93.323
Base-Backbone interact. energy: -0.299
local terms energy: -128.368064
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -176.387688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.387688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.387688 (E_RNA)
where:
Base-Base interactions energy: -67.226
where: short stacking energy: -48.124
Base-Backbone interact. energy: 1.354
local terms energy: -110.515747
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: 8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -246.328791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.328791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.328791 (E_RNA)
where:
Base-Base interactions energy: -127.906
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.330
local terms energy: -118.092848
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -579.143579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.143579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.143579 (E_RNA)
where:
Base-Base interactions energy: -384.667
where: short stacking energy: -190.901
Base-Backbone interact. energy: 0.150
local terms energy: -194.625620
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -57.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -531.583112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.583112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.583112 (E_RNA)
where:
Base-Base interactions energy: -349.960
where: short stacking energy: -162.856
Base-Backbone interact. energy: -1.047
local terms energy: -180.576814
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -40.309
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -46.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -474.958011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.958011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.958011 (E_RNA)
where:
Base-Base interactions energy: -305.852
where: short stacking energy: -136.311
Base-Backbone interact. energy: -0.440
local terms energy: -168.666074
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -516.331769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.331769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.331769 (E_RNA)
where:
Base-Base interactions energy: -339.495
where: short stacking energy: -159.094
Base-Backbone interact. energy: -0.838
local terms energy: -175.998882
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -50.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -360.619742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.619742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.619742 (E_RNA)
where:
Base-Base interactions energy: -215.345
where: short stacking energy: -98.548
Base-Backbone interact. energy: -0.229
local terms energy: -145.045720
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -407.321144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.321144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.321144 (E_RNA)
where:
Base-Base interactions energy: -258.455
where: short stacking energy: -124.231
Base-Backbone interact. energy: -1.140
local terms energy: -147.726143
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -359.396854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.396854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.396854 (E_RNA)
where:
Base-Base interactions energy: -220.604
where: short stacking energy: -111.868
Base-Backbone interact. energy: -0.301
local terms energy: -138.491925
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -299.582226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.582226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.582226 (E_RNA)
where:
Base-Base interactions energy: -167.975
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.265
local terms energy: -131.341850
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -243.304495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.304495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.304495 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -70.776
Base-Backbone interact. energy: -1.496
local terms energy: -114.715152
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -156.780696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.780696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.780696 (E_RNA)
where:
Base-Base interactions energy: -65.817
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.428
local terms energy: -90.535622
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: 7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -582.039682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.039682 (E_RNA)
where:
Base-Base interactions energy: -386.662
where: short stacking energy: -190.331
Base-Backbone interact. energy: -0.165
local terms energy: -195.212762
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -58.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -534.599975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.599975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.599975 (E_RNA)
where:
Base-Base interactions energy: -347.797
where: short stacking energy: -164.081
Base-Backbone interact. energy: -0.037
local terms energy: -186.765564
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -53.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -509.775544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.775544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.775544 (E_RNA)
where:
Base-Base interactions energy: -319.252
where: short stacking energy: -161.370
Base-Backbone interact. energy: 1.534
local terms energy: -192.057789
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -44.111
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -48.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -520.127884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.127884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.127884 (E_RNA)
where:
Base-Base interactions energy: -330.600
where: short stacking energy: -162.922
Base-Backbone interact. energy: -0.133
local terms energy: -189.395046
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -56.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -359.522924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.522924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.522924 (E_RNA)
where:
Base-Base interactions energy: -202.086
where: short stacking energy: -104.703
Base-Backbone interact. energy: -0.943
local terms energy: -156.493187
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -371.364000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.364000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.364000 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -124.506
Base-Backbone interact. energy: -1.538
local terms energy: -121.551319
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -349.386705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.386705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.386705 (E_RNA)
where:
Base-Base interactions energy: -210.715
where: short stacking energy: -113.754
Base-Backbone interact. energy: -0.953
local terms energy: -137.718539
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -266.187044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.187044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.187044 (E_RNA)
where:
Base-Base interactions energy: -145.663
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.254
local terms energy: -120.269574
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -294.092136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.092136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.092136 (E_RNA)
where:
Base-Base interactions energy: -167.524
where: short stacking energy: -80.368
Base-Backbone interact. energy: -0.644
local terms energy: -125.924076
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -147.026462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.026462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.026462 (E_RNA)
where:
Base-Base interactions energy: -50.039
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.480
local terms energy: -96.507461
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: 2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -583.708615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.708615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.708615 (E_RNA)
where:
Base-Base interactions energy: -378.707
where: short stacking energy: -182.767
Base-Backbone interact. energy: -0.014
local terms energy: -204.986929
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -61.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -545.900843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.900843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.900843 (E_RNA)
where:
Base-Base interactions energy: -359.248
where: short stacking energy: -169.608
Base-Backbone interact. energy: -0.011
local terms energy: -186.641367
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -52.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -510.660714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.660714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.660714 (E_RNA)
where:
Base-Base interactions energy: -325.346
where: short stacking energy: -154.686
Base-Backbone interact. energy: -0.275
local terms energy: -185.039957
where:
bonds (distance) C4'-P energy: -38.465
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -46.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -497.248158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.248158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.248158 (E_RNA)
where:
Base-Base interactions energy: -332.224
where: short stacking energy: -159.564
Base-Backbone interact. energy: -0.370
local terms energy: -164.654079
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -48.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -400.589977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.589977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.589977 (E_RNA)
where:
Base-Base interactions energy: -260.112
where: short stacking energy: -131.465
Base-Backbone interact. energy: -0.655
local terms energy: -139.822680
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -29.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -388.941966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.941966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.941966 (E_RNA)
where:
Base-Base interactions energy: -221.952
where: short stacking energy: -132.082
Base-Backbone interact. energy: -0.705
local terms energy: -166.284974
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: -38.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -335.626875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.626875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.626875 (E_RNA)
where:
Base-Base interactions energy: -196.203
where: short stacking energy: -96.478
Base-Backbone interact. energy: -0.840
local terms energy: -138.582976
where:
bonds (distance) C4'-P energy: -37.254
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -316.488152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.488152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.488152 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -98.562
Base-Backbone interact. energy: -1.590
local terms energy: -127.665104
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -297.587580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.587580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.587580 (E_RNA)
where:
Base-Base interactions energy: -179.689
where: short stacking energy: -94.626
Base-Backbone interact. energy: 0.040
local terms energy: -117.938878
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -149.720716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.720716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.720716 (E_RNA)
where:
Base-Base interactions energy: -55.054
where: short stacking energy: -42.373
Base-Backbone interact. energy: -1.503
local terms energy: -93.164299
where:
bonds (distance) C4'-P energy: -35.447
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: 2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -589.606741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.606741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.606741 (E_RNA)
where:
Base-Base interactions energy: -394.084
where: short stacking energy: -184.354
Base-Backbone interact. energy: -0.032
local terms energy: -195.491306
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -40.386
flat angles P-C4'-P energy: -32.326
tors. eta vs tors. theta energy: -58.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -564.816233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.816233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.816233 (E_RNA)
where:
Base-Base interactions energy: -387.697
where: short stacking energy: -179.472
Base-Backbone interact. energy: -0.105
local terms energy: -177.013506
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -56.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -504.373863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.373863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.373863 (E_RNA)
where:
Base-Base interactions energy: -318.102
where: short stacking energy: -154.408
Base-Backbone interact. energy: -0.270
local terms energy: -186.002023
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -40.701
flat angles P-C4'-P energy: -30.727
tors. eta vs tors. theta energy: -48.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -491.500207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.500207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.500207 (E_RNA)
where:
Base-Base interactions energy: -325.014
where: short stacking energy: -157.367
Base-Backbone interact. energy: 1.801
local terms energy: -168.287785
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -45.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -410.294143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.294143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.294143 (E_RNA)
where:
Base-Base interactions energy: -260.366
where: short stacking energy: -123.964
Base-Backbone interact. energy: 1.340
local terms energy: -151.268500
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -350.161597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.161597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.161597 (E_RNA)
where:
Base-Base interactions energy: -201.475
where: short stacking energy: -110.419
Base-Backbone interact. energy: -1.317
local terms energy: -147.369530
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -325.577532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.577532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.577532 (E_RNA)
where:
Base-Base interactions energy: -187.825
where: short stacking energy: -86.903
Base-Backbone interact. energy: -1.066
local terms energy: -136.686348
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -295.068642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.068642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.068642 (E_RNA)
where:
Base-Base interactions energy: -162.917
where: short stacking energy: -87.382
Base-Backbone interact. energy: -0.203
local terms energy: -131.949017
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -316.316367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.316367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.316367 (E_RNA)
where:
Base-Base interactions energy: -180.216
where: short stacking energy: -84.736
Base-Backbone interact. energy: -0.423
local terms energy: -135.678146
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -167.198165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.198165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.198165 (E_RNA)
where:
Base-Base interactions energy: -53.150
where: short stacking energy: -45.778
Base-Backbone interact. energy: 0.549
local terms energy: -114.597613
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -573.509027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.509027 (E_RNA)
where:
Base-Base interactions energy: -380.240
where: short stacking energy: -177.607
Base-Backbone interact. energy: -0.213
local terms energy: -193.056057
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -42.353
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -52.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -582.582915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.582915 (E_RNA)
where:
Base-Base interactions energy: -384.747
where: short stacking energy: -175.295
Base-Backbone interact. energy: -0.148
local terms energy: -197.687983
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -60.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -507.031128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.031128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.031128 (E_RNA)
where:
Base-Base interactions energy: -324.648
where: short stacking energy: -161.448
Base-Backbone interact. energy: 0.943
local terms energy: -183.326250
where:
bonds (distance) C4'-P energy: -37.170
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -54.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -476.122381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.122381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.122381 (E_RNA)
where:
Base-Base interactions energy: -306.081
where: short stacking energy: -153.939
Base-Backbone interact. energy: -1.044
local terms energy: -168.997562
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -42.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -422.400078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.400078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.400078 (E_RNA)
where:
Base-Base interactions energy: -282.928
where: short stacking energy: -126.638
Base-Backbone interact. energy: -0.906
local terms energy: -138.565860
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -344.144329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.144329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.144329 (E_RNA)
where:
Base-Base interactions energy: -200.777
where: short stacking energy: -108.623
Base-Backbone interact. energy: 2.020
local terms energy: -145.387470
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -328.784938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.784938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.784938 (E_RNA)
where:
Base-Base interactions energy: -201.191
where: short stacking energy: -96.146
Base-Backbone interact. energy: -0.469
local terms energy: -127.124624
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -299.773601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.773601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.773601 (E_RNA)
where:
Base-Base interactions energy: -175.031
where: short stacking energy: -85.006
Base-Backbone interact. energy: -0.645
local terms energy: -124.097821
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -296.587817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.587817 (E_RNA)
where:
Base-Base interactions energy: -168.065
where: short stacking energy: -77.448
Base-Backbone interact. energy: -0.942
local terms energy: -127.580329
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -178.874715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.874715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.874715 (E_RNA)
where:
Base-Base interactions energy: -77.841
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.961
local terms energy: -100.072012
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -567.233915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.233915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.233915 (E_RNA)
where:
Base-Base interactions energy: -378.261
where: short stacking energy: -173.246
Base-Backbone interact. energy: -0.243
local terms energy: -188.729985
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -37.527
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -52.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -565.975316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.975316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.975316 (E_RNA)
where:
Base-Base interactions energy: -359.688
where: short stacking energy: -180.540
Base-Backbone interact. energy: -1.040
local terms energy: -205.247181
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -59.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -520.105942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.105942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.105942 (E_RNA)
where:
Base-Base interactions energy: -330.633
where: short stacking energy: -162.554
Base-Backbone interact. energy: -0.593
local terms energy: -188.880012
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -31.926
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -49.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -485.508473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.508473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.508473 (E_RNA)
where:
Base-Base interactions energy: -313.174
where: short stacking energy: -152.831
Base-Backbone interact. energy: -0.205
local terms energy: -172.129772
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -40.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -396.886258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.886258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.886258 (E_RNA)
where:
Base-Base interactions energy: -242.381
where: short stacking energy: -97.593
Base-Backbone interact. energy: 0.182
local terms energy: -154.687720
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -38.023
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -27.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -344.755023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.755023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.755023 (E_RNA)
where:
Base-Base interactions energy: -198.075
where: short stacking energy: -108.510
Base-Backbone interact. energy: -0.603
local terms energy: -146.077388
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -339.425171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.425171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.425171 (E_RNA)
where:
Base-Base interactions energy: -196.956
where: short stacking energy: -110.361
Base-Backbone interact. energy: -1.346
local terms energy: -141.123224
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -289.636293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.636293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.636293 (E_RNA)
where:
Base-Base interactions energy: -162.403
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.421
local terms energy: -126.811509
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -320.504983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.504983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.504983 (E_RNA)
where:
Base-Base interactions energy: -186.534
where: short stacking energy: -82.779
Base-Backbone interact. energy: -0.329
local terms energy: -133.641920
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -156.865804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.865804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.865804 (E_RNA)
where:
Base-Base interactions energy: -59.702
where: short stacking energy: -49.865
Base-Backbone interact. energy: -0.638
local terms energy: -96.526399
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -594.720845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.720845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.720845 (E_RNA)
where:
Base-Base interactions energy: -391.132
where: short stacking energy: -196.075
Base-Backbone interact. energy: -0.290
local terms energy: -203.298991
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -41.657
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -60.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -550.124044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.124044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.124044 (E_RNA)
where:
Base-Base interactions energy: -366.083
where: short stacking energy: -167.515
Base-Backbone interact. energy: 1.628
local terms energy: -185.668534
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -52.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -504.738079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.738079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.738079 (E_RNA)
where:
Base-Base interactions energy: -326.844
where: short stacking energy: -150.032
Base-Backbone interact. energy: 3.180
local terms energy: -181.073919
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -502.013828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.013828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.013828 (E_RNA)
where:
Base-Base interactions energy: -333.085
where: short stacking energy: -162.052
Base-Backbone interact. energy: -0.353
local terms energy: -168.575525
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -38.762
flat angles P-C4'-P energy: -27.447
tors. eta vs tors. theta energy: -48.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -380.712877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.712877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.712877 (E_RNA)
where:
Base-Base interactions energy: -234.186
where: short stacking energy: -109.480
Base-Backbone interact. energy: -0.331
local terms energy: -146.196671
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -340.929958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.929958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.929958 (E_RNA)
where:
Base-Base interactions energy: -196.078
where: short stacking energy: -101.917
Base-Backbone interact. energy: -0.785
local terms energy: -144.066723
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -299.869620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.869620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.869620 (E_RNA)
where:
Base-Base interactions energy: -173.384
where: short stacking energy: -94.331
Base-Backbone interact. energy: 0.996
local terms energy: -127.481509
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -317.350677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.350677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.350677 (E_RNA)
where:
Base-Base interactions energy: -187.506
where: short stacking energy: -91.153
Base-Backbone interact. energy: -0.493
local terms energy: -129.351672
where:
bonds (distance) C4'-P energy: -28.593
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -298.900666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.900666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.900666 (E_RNA)
where:
Base-Base interactions energy: -177.348
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.478
local terms energy: -121.074631
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -148.620092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.620092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.620092 (E_RNA)
where:
Base-Base interactions energy: -49.171
where: short stacking energy: -41.086
Base-Backbone interact. energy: -0.679
local terms energy: -98.769956
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -581.720087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.720087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.720087 (E_RNA)
where:
Base-Base interactions energy: -385.399
where: short stacking energy: -195.846
Base-Backbone interact. energy: -0.004
local terms energy: -196.316584
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -61.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -539.045893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.045893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.045893 (E_RNA)
where:
Base-Base interactions energy: -349.329
where: short stacking energy: -164.968
Base-Backbone interact. energy: 0.361
local terms energy: -190.077874
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -56.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -510.062827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.062827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.062827 (E_RNA)
where:
Base-Base interactions energy: -338.506
where: short stacking energy: -159.838
Base-Backbone interact. energy: 0.141
local terms energy: -171.697900
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -44.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -491.775234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.775234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.775234 (E_RNA)
where:
Base-Base interactions energy: -310.976
where: short stacking energy: -155.640
Base-Backbone interact. energy: -0.453
local terms energy: -180.346516
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -50.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -415.936114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.936114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.936114 (E_RNA)
where:
Base-Base interactions energy: -267.145
where: short stacking energy: -128.895
Base-Backbone interact. energy: -0.674
local terms energy: -148.117346
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -34.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -313.248033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.248033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.248033 (E_RNA)
where:
Base-Base interactions energy: -190.875
where: short stacking energy: -102.716
Base-Backbone interact. energy: -0.245
local terms energy: -122.128383
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -326.966972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.966972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.966972 (E_RNA)
where:
Base-Base interactions energy: -184.091
where: short stacking energy: -96.859
Base-Backbone interact. energy: 0.283
local terms energy: -143.159002
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -311.196603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.196603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.196603 (E_RNA)
where:
Base-Base interactions energy: -174.699
where: short stacking energy: -82.593
Base-Backbone interact. energy: -1.017
local terms energy: -135.481285
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -290.965700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.965700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.965700 (E_RNA)
where:
Base-Base interactions energy: -178.133
where: short stacking energy: -87.922
Base-Backbone interact. energy: -1.341
local terms energy: -111.492083
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -188.108953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.108953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.108953 (E_RNA)
where:
Base-Base interactions energy: -85.989
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.849
local terms energy: -101.271452
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -582.328586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.328586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.328586 (E_RNA)
where:
Base-Base interactions energy: -378.143
where: short stacking energy: -180.069
Base-Backbone interact. energy: -0.017
local terms energy: -204.168102
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -42.915
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -59.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -553.803580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.803580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.803580 (E_RNA)
where:
Base-Base interactions energy: -363.481
where: short stacking energy: -176.970
Base-Backbone interact. energy: -0.309
local terms energy: -190.013372
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -55.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -517.257305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.257305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.257305 (E_RNA)
where:
Base-Base interactions energy: -344.188
where: short stacking energy: -158.313
Base-Backbone interact. energy: -0.318
local terms energy: -172.751398
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -51.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -484.536990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.536990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.536990 (E_RNA)
where:
Base-Base interactions energy: -311.259
where: short stacking energy: -153.528
Base-Backbone interact. energy: -0.850
local terms energy: -172.428843
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -42.987
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -425.208922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.208922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.208922 (E_RNA)
where:
Base-Base interactions energy: -276.725
where: short stacking energy: -125.874
Base-Backbone interact. energy: 1.472
local terms energy: -149.955115
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -33.035
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -30.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -316.708612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.708612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.708612 (E_RNA)
where:
Base-Base interactions energy: -186.615
where: short stacking energy: -82.643
Base-Backbone interact. energy: -0.683
local terms energy: -129.410044
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -330.371872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.371872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.371872 (E_RNA)
where:
Base-Base interactions energy: -192.955
where: short stacking energy: -105.020
Base-Backbone interact. energy: -0.242
local terms energy: -137.174595
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -39.220
flat angles C4'-P-C4' energy: -34.421
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -303.031027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.031027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.031027 (E_RNA)
where:
Base-Base interactions energy: -179.900
where: short stacking energy: -85.067
Base-Backbone interact. energy: -1.745
local terms energy: -121.385607
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -35.855
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -298.776883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.776883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.776883 (E_RNA)
where:
Base-Base interactions energy: -174.665
where: short stacking energy: -80.977
Base-Backbone interact. energy: -0.370
local terms energy: -123.741457
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -38.837
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -165.189817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.189817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189817 (E_RNA)
where:
Base-Base interactions energy: -61.948
where: short stacking energy: -37.406
Base-Backbone interact. energy: 2.984
local terms energy: -106.226251
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -582.671971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.671971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.671971 (E_RNA)
where:
Base-Base interactions energy: -379.125
where: short stacking energy: -187.841
Base-Backbone interact. energy: -0.005
local terms energy: -203.541476
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -62.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -538.702964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.702964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.702964 (E_RNA)
where:
Base-Base interactions energy: -350.011
where: short stacking energy: -169.785
Base-Backbone interact. energy: -0.018
local terms energy: -188.674185
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -41.752
flat angles P-C4'-P energy: -29.860
tors. eta vs tors. theta energy: -50.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -508.304117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.304117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.304117 (E_RNA)
where:
Base-Base interactions energy: -338.028
where: short stacking energy: -149.335
Base-Backbone interact. energy: -0.626
local terms energy: -169.649933
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -41.640
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -461.235510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.235510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.235510 (E_RNA)
where:
Base-Base interactions energy: -288.488
where: short stacking energy: -146.098
Base-Backbone interact. energy: -0.704
local terms energy: -172.043943
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -44.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -406.022988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.022988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.022988 (E_RNA)
where:
Base-Base interactions energy: -251.208
where: short stacking energy: -122.094
Base-Backbone interact. energy: -0.456
local terms energy: -154.358337
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -340.850608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.850608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.850608 (E_RNA)
where:
Base-Base interactions energy: -200.538
where: short stacking energy: -99.160
Base-Backbone interact. energy: -0.471
local terms energy: -139.841056
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -29.670
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -32.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -336.849925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.849925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.849925 (E_RNA)
where:
Base-Base interactions energy: -210.240
where: short stacking energy: -93.943
Base-Backbone interact. energy: 2.191
local terms energy: -128.801018
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -324.808597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.808597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.808597 (E_RNA)
where:
Base-Base interactions energy: -195.750
where: short stacking energy: -100.919
Base-Backbone interact. energy: -0.083
local terms energy: -128.975698
where:
bonds (distance) C4'-P energy: -29.549
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -297.358963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.358963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.358963 (E_RNA)
where:
Base-Base interactions energy: -156.841
where: short stacking energy: -73.274
Base-Backbone interact. energy: -1.413
local terms energy: -139.104800
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -166.466446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.466446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.466446 (E_RNA)
where:
Base-Base interactions energy: -68.163
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.458
local terms energy: -97.845213
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -570.687820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.687820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.687820 (E_RNA)
where:
Base-Base interactions energy: -376.795
where: short stacking energy: -178.018
Base-Backbone interact. energy: -0.716
local terms energy: -193.176512
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -53.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -554.522923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.522923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.522923 (E_RNA)
where:
Base-Base interactions energy: -360.119
where: short stacking energy: -174.077
Base-Backbone interact. energy: -0.039
local terms energy: -194.365114
where:
bonds (distance) C4'-P energy: -33.156
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -42.565
flat angles P-C4'-P energy: -28.259
tors. eta vs tors. theta energy: -54.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -477.360439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.360439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.360439 (E_RNA)
where:
Base-Base interactions energy: -300.711
where: short stacking energy: -152.216
Base-Backbone interact. energy: -0.570
local terms energy: -176.079783
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -460.719964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.719964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.719964 (E_RNA)
where:
Base-Base interactions energy: -288.164
where: short stacking energy: -144.190
Base-Backbone interact. energy: -0.200
local terms energy: -172.356316
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -47.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -404.116199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.116199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.116199 (E_RNA)
where:
Base-Base interactions energy: -247.388
where: short stacking energy: -111.959
Base-Backbone interact. energy: -0.666
local terms energy: -156.061640
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -31.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -336.679869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.679869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.679869 (E_RNA)
where:
Base-Base interactions energy: -208.213
where: short stacking energy: -90.103
Base-Backbone interact. energy: 1.868
local terms energy: -130.334726
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -30.801
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -318.100301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.100301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.100301 (E_RNA)
where:
Base-Base interactions energy: -179.128
where: short stacking energy: -86.044
Base-Backbone interact. energy: -0.662
local terms energy: -138.310056
where:
bonds (distance) C4'-P energy: -34.637
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -338.910001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.910001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.910001 (E_RNA)
where:
Base-Base interactions energy: -232.054
where: short stacking energy: -83.761
Base-Backbone interact. energy: -1.314
local terms energy: -105.542319
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -297.161653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.161653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.161653 (E_RNA)
where:
Base-Base interactions energy: -175.631
where: short stacking energy: -87.287
Base-Backbone interact. energy: 0.637
local terms energy: -122.168138
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -166.802142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.802142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.802142 (E_RNA)
where:
Base-Base interactions energy: -66.182
where: short stacking energy: -53.790
Base-Backbone interact. energy: 0.348
local terms energy: -100.967872
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -589.324325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.324325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.324325 (E_RNA)
where:
Base-Base interactions energy: -388.617
where: short stacking energy: -186.844
Base-Backbone interact. energy: -0.352
local terms energy: -200.355189
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -56.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -509.245242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.245242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.245242 (E_RNA)
where:
Base-Base interactions energy: -319.507
where: short stacking energy: -154.440
Base-Backbone interact. energy: -0.204
local terms energy: -189.534548
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -494.990388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.990388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.990388 (E_RNA)
where:
Base-Base interactions energy: -313.855
where: short stacking energy: -159.686
Base-Backbone interact. energy: -0.880
local terms energy: -180.255080
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -37.699
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -51.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -461.230899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.230899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.230899 (E_RNA)
where:
Base-Base interactions energy: -287.799
where: short stacking energy: -149.129
Base-Backbone interact. energy: 0.564
local terms energy: -173.996042
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -411.907496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.907496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.907496 (E_RNA)
where:
Base-Base interactions energy: -256.365
where: short stacking energy: -123.334
Base-Backbone interact. energy: -0.988
local terms energy: -154.553889
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -37.750
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -373.482033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.482033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.482033 (E_RNA)
where:
Base-Base interactions energy: -226.296
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.514
local terms energy: -146.671999
where:
bonds (distance) C4'-P energy: -31.847
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -305.910845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.910845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.910845 (E_RNA)
where:
Base-Base interactions energy: -180.743
where: short stacking energy: -80.255
Base-Backbone interact. energy: -0.596
local terms energy: -124.572467
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -350.092130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.092130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.092130 (E_RNA)
where:
Base-Base interactions energy: -224.250
where: short stacking energy: -112.488
Base-Backbone interact. energy: -0.091
local terms energy: -125.751196
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -36.147
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -304.401841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.401841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.401841 (E_RNA)
where:
Base-Base interactions energy: -166.489
where: short stacking energy: -79.960
Base-Backbone interact. energy: -0.469
local terms energy: -137.442962
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -165.642991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.642991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.642991 (E_RNA)
where:
Base-Base interactions energy: -66.389
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.620
local terms energy: -98.634029
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -581.695366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.695366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.695366 (E_RNA)
where:
Base-Base interactions energy: -397.334
where: short stacking energy: -197.095
Base-Backbone interact. energy: 0.118
local terms energy: -184.479817
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -59.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -545.792447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.792447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.792447 (E_RNA)
where:
Base-Base interactions energy: -369.117
where: short stacking energy: -169.661
Base-Backbone interact. energy: -0.592
local terms energy: -176.083813
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -54.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -503.218390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.218390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.218390 (E_RNA)
where:
Base-Base interactions energy: -342.153
where: short stacking energy: -163.606
Base-Backbone interact. energy: 0.806
local terms energy: -161.871843
where:
bonds (distance) C4'-P energy: -32.931
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -453.351009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.351009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.351009 (E_RNA)
where:
Base-Base interactions energy: -285.695
where: short stacking energy: -148.013
Base-Backbone interact. energy: -1.039
local terms energy: -166.616650
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -42.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -401.650088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.650088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.650088 (E_RNA)
where:
Base-Base interactions energy: -249.938
where: short stacking energy: -102.385
Base-Backbone interact. energy: -0.523
local terms energy: -151.189427
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -370.209785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.209785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.209785 (E_RNA)
where:
Base-Base interactions energy: -220.168
where: short stacking energy: -109.225
Base-Backbone interact. energy: -0.443
local terms energy: -149.599114
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -29.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -330.470914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.470914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.470914 (E_RNA)
where:
Base-Base interactions energy: -193.984
where: short stacking energy: -99.716
Base-Backbone interact. energy: 1.666
local terms energy: -138.152384
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -291.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.366431 (E_RNA)
where:
Base-Base interactions energy: -156.261
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.940
local terms energy: -134.166033
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -298.643471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.643471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.643471 (E_RNA)
where:
Base-Base interactions energy: -168.030
where: short stacking energy: -86.550
Base-Backbone interact. energy: 0.919
local terms energy: -131.532779
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -160.695858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.695858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.695858 (E_RNA)
where:
Base-Base interactions energy: -58.719
where: short stacking energy: -51.114
Base-Backbone interact. energy: 0.434
local terms energy: -102.410855
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: 4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -579.045161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.045161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.045161 (E_RNA)
where:
Base-Base interactions energy: -384.508
where: short stacking energy: -194.085
Base-Backbone interact. energy: -0.043
local terms energy: -194.494094
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -59.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -547.048820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.048820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.048820 (E_RNA)
where:
Base-Base interactions energy: -354.550
where: short stacking energy: -166.690
Base-Backbone interact. energy: -0.621
local terms energy: -191.877933
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -40.081
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -54.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -520.793295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.793295 (E_RNA)
where:
Base-Base interactions energy: -353.865
where: short stacking energy: -158.933
Base-Backbone interact. energy: -0.482
local terms energy: -166.446617
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -49.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -429.292110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.292110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.292110 (E_RNA)
where:
Base-Base interactions energy: -287.428
where: short stacking energy: -129.251
Base-Backbone interact. energy: -0.668
local terms energy: -141.196341
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -28.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -443.477690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.477690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.477690 (E_RNA)
where:
Base-Base interactions energy: -276.683
where: short stacking energy: -131.645
Base-Backbone interact. energy: -0.433
local terms energy: -166.360815
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -41.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -339.989465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.989465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.989465 (E_RNA)
where:
Base-Base interactions energy: -215.225
where: short stacking energy: -105.731
Base-Backbone interact. energy: -1.824
local terms energy: -122.940523
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -35.044
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -316.747097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.747097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.747097 (E_RNA)
where:
Base-Base interactions energy: -187.039
where: short stacking energy: -95.678
Base-Backbone interact. energy: -0.385
local terms energy: -129.323460
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -29.479
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -291.303342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.303342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.303342 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -65.047
Base-Backbone interact. energy: -1.054
local terms energy: -129.481149
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -268.394290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.394290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.394290 (E_RNA)
where:
Base-Base interactions energy: -142.592
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.641
local terms energy: -125.161227
where:
bonds (distance) C4'-P energy: -38.259
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -179.966861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.966861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.966861 (E_RNA)
where:
Base-Base interactions energy: -74.722
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.821
local terms energy: -104.422967
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -588.991968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.991968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.991968 (E_RNA)
where:
Base-Base interactions energy: -389.072
where: short stacking energy: -199.575
Base-Backbone interact. energy: -0.025
local terms energy: -199.895044
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -33.090
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -542.393265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.393265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.393265 (E_RNA)
where:
Base-Base interactions energy: -359.769
where: short stacking energy: -162.554
Base-Backbone interact. energy: -0.808
local terms energy: -181.816131
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -50.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -521.917787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.917787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.917787 (E_RNA)
where:
Base-Base interactions energy: -346.969
where: short stacking energy: -146.276
Base-Backbone interact. energy: -0.208
local terms energy: -174.740333
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -49.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -446.784657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.784657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.784657 (E_RNA)
where:
Base-Base interactions energy: -294.292
where: short stacking energy: -137.425
Base-Backbone interact. energy: 5.083
local terms energy: -157.575089
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -33.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -453.727083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.727083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.727083 (E_RNA)
where:
Base-Base interactions energy: -278.660
where: short stacking energy: -143.438
Base-Backbone interact. energy: -0.213
local terms energy: -174.854349
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -42.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -340.467827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.467827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.467827 (E_RNA)
where:
Base-Base interactions energy: -192.040
where: short stacking energy: -104.945
Base-Backbone interact. energy: -0.573
local terms energy: -147.854072
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -314.705648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.705648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.705648 (E_RNA)
where:
Base-Base interactions energy: -188.084
where: short stacking energy: -88.764
Base-Backbone interact. energy: -1.109
local terms energy: -125.512331
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -315.288476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.288476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.288476 (E_RNA)
where:
Base-Base interactions energy: -175.100
where: short stacking energy: -92.172
Base-Backbone interact. energy: -0.568
local terms energy: -139.620364
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -294.399707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.399707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.399707 (E_RNA)
where:
Base-Base interactions energy: -166.839
where: short stacking energy: -85.018
Base-Backbone interact. energy: 0.438
local terms energy: -127.998403
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -153.918873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.918873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.918873 (E_RNA)
where:
Base-Base interactions energy: -61.385
where: short stacking energy: -30.347
Base-Backbone interact. energy: 2.126
local terms energy: -94.660006
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: 5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -576.630740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.630740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.630740 (E_RNA)
where:
Base-Base interactions energy: -371.396
where: short stacking energy: -186.965
Base-Backbone interact. energy: -0.098
local terms energy: -205.136256
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -43.059
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -58.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -501.709728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.709728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.709728 (E_RNA)
where:
Base-Base interactions energy: -330.832
where: short stacking energy: -162.135
Base-Backbone interact. energy: -0.031
local terms energy: -170.846408
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -55.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -530.679957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.679957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.679957 (E_RNA)
where:
Base-Base interactions energy: -346.190
where: short stacking energy: -161.442
Base-Backbone interact. energy: -0.129
local terms energy: -184.360463
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -54.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -422.233423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.233423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.233423 (E_RNA)
where:
Base-Base interactions energy: -284.288
where: short stacking energy: -138.253
Base-Backbone interact. energy: 2.046
local terms energy: -139.990754
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -30.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -437.353633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.353633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.353633 (E_RNA)
where:
Base-Base interactions energy: -274.168
where: short stacking energy: -144.757
Base-Backbone interact. energy: -0.116
local terms energy: -163.070332
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -39.576
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -42.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -323.737648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.737648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.737648 (E_RNA)
where:
Base-Base interactions energy: -195.081
where: short stacking energy: -104.882
Base-Backbone interact. energy: -1.184
local terms energy: -127.471746
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -33.693
flat angles C4'-P-C4' energy: -30.903
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -334.751157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.751157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.751157 (E_RNA)
where:
Base-Base interactions energy: -186.045
where: short stacking energy: -100.129
Base-Backbone interact. energy: -0.371
local terms energy: -148.335338
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -302.688723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.688723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.688723 (E_RNA)
where:
Base-Base interactions energy: -165.330
where: short stacking energy: -80.961
Base-Backbone interact. energy: -0.400
local terms energy: -136.959247
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -39.657
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -305.732326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.732326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.732326 (E_RNA)
where:
Base-Base interactions energy: -175.656
where: short stacking energy: -81.685
Base-Backbone interact. energy: 2.085
local terms energy: -132.160981
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -175.887691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.887691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.887691 (E_RNA)
where:
Base-Base interactions energy: -79.050
where: short stacking energy: -44.919
Base-Backbone interact. energy: -1.160
local terms energy: -95.677572
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -21.273
tors. eta vs tors. theta energy: 6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -567.412142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.412142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.412142 (E_RNA)
where:
Base-Base interactions energy: -380.589
where: short stacking energy: -187.272
Base-Backbone interact. energy: -0.050
local terms energy: -186.772855
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -57.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -514.988640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.988640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.988640 (E_RNA)
where:
Base-Base interactions energy: -327.931
where: short stacking energy: -166.863
Base-Backbone interact. energy: -0.430
local terms energy: -186.627406
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -52.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -536.829704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.829704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.829704 (E_RNA)
where:
Base-Base interactions energy: -352.888
where: short stacking energy: -167.494
Base-Backbone interact. energy: -0.192
local terms energy: -183.749635
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: -52.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -427.248484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.248484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.248484 (E_RNA)
where:
Base-Base interactions energy: -276.806
where: short stacking energy: -136.440
Base-Backbone interact. energy: 0.804
local terms energy: -151.246485
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -450.809316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.809316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.809316 (E_RNA)
where:
Base-Base interactions energy: -291.289
where: short stacking energy: -135.633
Base-Backbone interact. energy: -0.024
local terms energy: -159.496723
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -42.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -331.417530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.417530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.417530 (E_RNA)
where:
Base-Base interactions energy: -185.149
where: short stacking energy: -94.170
Base-Backbone interact. energy: -1.139
local terms energy: -145.129073
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -35.364
flat angles C4'-P-C4' energy: -35.571
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -312.984680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.984680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.984680 (E_RNA)
where:
Base-Base interactions energy: -175.213
where: short stacking energy: -89.078
Base-Backbone interact. energy: -0.177
local terms energy: -137.594226
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -305.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.203805 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -94.243
Base-Backbone interact. energy: -0.716
local terms energy: -122.427548
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -293.735300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.735300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.735300 (E_RNA)
where:
Base-Base interactions energy: -168.541
where: short stacking energy: -87.653
Base-Backbone interact. energy: 0.091
local terms energy: -125.285778
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -30.371
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -160.546006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.546006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.546006 (E_RNA)
where:
Base-Base interactions energy: -50.292
where: short stacking energy: -37.280
Base-Backbone interact. energy: 2.254
local terms energy: -112.508277
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -580.042883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.042883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.042883 (E_RNA)
where:
Base-Base interactions energy: -386.487
where: short stacking energy: -190.430
Base-Backbone interact. energy: -0.194
local terms energy: -193.362561
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -61.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -537.585603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.585603 (E_RNA)
where:
Base-Base interactions energy: -352.538
where: short stacking energy: -168.499
Base-Backbone interact. energy: -0.928
local terms energy: -184.119346
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -56.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -505.432066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.432066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.432066 (E_RNA)
where:
Base-Base interactions energy: -328.631
where: short stacking energy: -153.748
Base-Backbone interact. energy: -1.040
local terms energy: -175.760727
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -41.408
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -46.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -479.758494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.758494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.758494 (E_RNA)
where:
Base-Base interactions energy: -309.656
where: short stacking energy: -143.798
Base-Backbone interact. energy: -0.684
local terms energy: -169.418353
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -434.114209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.114209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.114209 (E_RNA)
where:
Base-Base interactions energy: -284.518
where: short stacking energy: -120.599
Base-Backbone interact. energy: -0.746
local terms energy: -148.849965
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -342.201678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.201678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.201678 (E_RNA)
where:
Base-Base interactions energy: -202.349
where: short stacking energy: -111.250
Base-Backbone interact. energy: -0.399
local terms energy: -139.453494
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -24.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -311.659799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.659799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.659799 (E_RNA)
where:
Base-Base interactions energy: -171.193
where: short stacking energy: -90.128
Base-Backbone interact. energy: 1.670
local terms energy: -142.137427
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -39.586
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -318.141872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.141872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.141872 (E_RNA)
where:
Base-Base interactions energy: -178.387
where: short stacking energy: -82.380
Base-Backbone interact. energy: -0.488
local terms energy: -139.266891
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -315.734200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.734200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.734200 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -90.990
Base-Backbone interact. energy: 0.474
local terms energy: -124.781066
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -166.500598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.500598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.500598 (E_RNA)
where:
Base-Base interactions energy: -48.061
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.515
local terms energy: -117.925251
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -585.644289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.644289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.644289 (E_RNA)
where:
Base-Base interactions energy: -385.319
where: short stacking energy: -200.138
Base-Backbone interact. energy: -0.152
local terms energy: -200.173354
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -45.832
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -60.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -538.412151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.412151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.412151 (E_RNA)
where:
Base-Base interactions energy: -353.752
where: short stacking energy: -158.717
Base-Backbone interact. energy: -0.112
local terms energy: -184.547359
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -40.032
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -51.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -522.919246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.919246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.919246 (E_RNA)
where:
Base-Base interactions energy: -346.388
where: short stacking energy: -159.518
Base-Backbone interact. energy: -0.026
local terms energy: -176.505469
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -33.090
flat angles C4'-P-C4' energy: -42.079
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -49.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -476.139368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.139368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.139368 (E_RNA)
where:
Base-Base interactions energy: -303.078
where: short stacking energy: -157.083
Base-Backbone interact. energy: -0.108
local terms energy: -172.953718
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -39.245
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -49.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -435.268278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.268278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.268278 (E_RNA)
where:
Base-Base interactions energy: -281.521
where: short stacking energy: -111.712
Base-Backbone interact. energy: -1.779
local terms energy: -151.968604
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -352.615610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.615610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.615610 (E_RNA)
where:
Base-Base interactions energy: -206.432
where: short stacking energy: -109.738
Base-Backbone interact. energy: -0.298
local terms energy: -145.885781
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -327.995632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.995632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.995632 (E_RNA)
where:
Base-Base interactions energy: -186.564
where: short stacking energy: -104.782
Base-Backbone interact. energy: -0.493
local terms energy: -140.938678
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -308.023381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.023381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.023381 (E_RNA)
where:
Base-Base interactions energy: -185.544
where: short stacking energy: -96.362
Base-Backbone interact. energy: -0.159
local terms energy: -122.320874
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -31.442
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -293.767245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.767245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.767245 (E_RNA)
where:
Base-Base interactions energy: -164.783
where: short stacking energy: -81.092
Base-Backbone interact. energy: -0.489
local terms energy: -128.494982
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -158.897451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.897451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.897451 (E_RNA)
where:
Base-Base interactions energy: -70.397
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.365
local terms energy: -88.135951
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -594.914522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.914522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.914522 (E_RNA)
where:
Base-Base interactions energy: -393.731
where: short stacking energy: -189.958
Base-Backbone interact. energy: -0.013
local terms energy: -201.170438
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -40.446
flat angles P-C4'-P energy: -31.073
tors. eta vs tors. theta energy: -56.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -547.789235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.789235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.789235 (E_RNA)
where:
Base-Base interactions energy: -365.098
where: short stacking energy: -167.459
Base-Backbone interact. energy: 0.718
local terms energy: -183.409302
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -34.242
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -50.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -516.033950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.033950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.033950 (E_RNA)
where:
Base-Base interactions energy: -335.950
where: short stacking energy: -143.671
Base-Backbone interact. energy: -0.243
local terms energy: -179.841441
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -41.420
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -47.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -477.835436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.835436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.835436 (E_RNA)
where:
Base-Base interactions energy: -307.516
where: short stacking energy: -139.610
Base-Backbone interact. energy: -1.436
local terms energy: -168.883618
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -43.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -422.057603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.057603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.057603 (E_RNA)
where:
Base-Base interactions energy: -269.166
where: short stacking energy: -118.109
Base-Backbone interact. energy: -0.125
local terms energy: -152.766137
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -335.663938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.663938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.663938 (E_RNA)
where:
Base-Base interactions energy: -191.099
where: short stacking energy: -94.853
Base-Backbone interact. energy: -0.597
local terms energy: -143.967099
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -316.105646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.105646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.105646 (E_RNA)
where:
Base-Base interactions energy: -192.854
where: short stacking energy: -85.386
Base-Backbone interact. energy: 0.145
local terms energy: -123.396378
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -283.518153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.518153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.518153 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -81.705
Base-Backbone interact. energy: -0.669
local terms energy: -132.012941
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -304.318322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.318322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.318322 (E_RNA)
where:
Base-Base interactions energy: -167.003
where: short stacking energy: -94.007
Base-Backbone interact. energy: -1.069
local terms energy: -136.246855
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -34.346
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -145.335522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.335522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.335522 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -38.030
Base-Backbone interact. energy: 0.086
local terms energy: -103.983728
where:
bonds (distance) C4'-P energy: -26.206
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: 6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -581.514204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.514204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.514204 (E_RNA)
where:
Base-Base interactions energy: -386.214
where: short stacking energy: -187.746
Base-Backbone interact. energy: -0.105
local terms energy: -195.195339
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -35.190
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -55.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -541.950613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.950613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.950613 (E_RNA)
where:
Base-Base interactions energy: -369.248
where: short stacking energy: -169.532
Base-Backbone interact. energy: -0.460
local terms energy: -172.242216
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -33.672
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -54.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -539.134302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.134302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.134302 (E_RNA)
where:
Base-Base interactions energy: -360.815
where: short stacking energy: -168.610
Base-Backbone interact. energy: 1.288
local terms energy: -179.607893
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -51.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -484.808403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.808403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.808403 (E_RNA)
where:
Base-Base interactions energy: -320.888
where: short stacking energy: -156.059
Base-Backbone interact. energy: -0.139
local terms energy: -163.781061
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -43.744
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -46.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -435.818105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.818105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.818105 (E_RNA)
where:
Base-Base interactions energy: -295.851
where: short stacking energy: -128.877
Base-Backbone interact. energy: -0.679
local terms energy: -139.287776
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -328.351505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.351505 (E_RNA)
where:
Base-Base interactions energy: -204.005
where: short stacking energy: -102.514
Base-Backbone interact. energy: -0.486
local terms energy: -123.860568
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -328.441814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.441814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.441814 (E_RNA)
where:
Base-Base interactions energy: -192.580
where: short stacking energy: -107.720
Base-Backbone interact. energy: -0.345
local terms energy: -135.517360
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -34.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -313.140727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.140727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.140727 (E_RNA)
where:
Base-Base interactions energy: -187.246
where: short stacking energy: -96.037
Base-Backbone interact. energy: -1.132
local terms energy: -124.762264
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -287.017896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.017896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.017896 (E_RNA)
where:
Base-Base interactions energy: -158.338
where: short stacking energy: -72.922
Base-Backbone interact. energy: -0.422
local terms energy: -128.257623
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -145.025481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.025481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.025481 (E_RNA)
where:
Base-Base interactions energy: -63.033
where: short stacking energy: -42.733
Base-Backbone interact. energy: 0.630
local terms energy: -82.622186
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: 9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -577.871739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.871739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.871739 (E_RNA)
where:
Base-Base interactions energy: -381.772
where: short stacking energy: -189.295
Base-Backbone interact. energy: -0.025
local terms energy: -196.074283
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -59.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -538.004628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.004628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.004628 (E_RNA)
where:
Base-Base interactions energy: -368.371
where: short stacking energy: -166.725
Base-Backbone interact. energy: 0.252
local terms energy: -169.885620
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -513.919079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.919079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.919079 (E_RNA)
where:
Base-Base interactions energy: -335.594
where: short stacking energy: -169.378
Base-Backbone interact. energy: -0.254
local terms energy: -178.071702
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -50.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -462.464972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.464972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.464972 (E_RNA)
where:
Base-Base interactions energy: -303.162
where: short stacking energy: -149.551
Base-Backbone interact. energy: 2.498
local terms energy: -161.801502
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -37.760
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -43.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -430.899535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.899535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.899535 (E_RNA)
where:
Base-Base interactions energy: -282.193
where: short stacking energy: -124.765
Base-Backbone interact. energy: -1.123
local terms energy: -147.582837
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -37.542
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -328.411480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.411480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.411480 (E_RNA)
where:
Base-Base interactions energy: -183.248
where: short stacking energy: -92.970
Base-Backbone interact. energy: -0.275
local terms energy: -144.888359
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -352.120852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.120852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.120852 (E_RNA)
where:
Base-Base interactions energy: -208.963
where: short stacking energy: -111.157
Base-Backbone interact. energy: 2.029
local terms energy: -145.186559
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -316.583046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.583046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.583046 (E_RNA)
where:
Base-Base interactions energy: -189.993
where: short stacking energy: -96.709
Base-Backbone interact. energy: -0.098
local terms energy: -126.492176
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -287.796522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.796522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.796522 (E_RNA)
where:
Base-Base interactions energy: -176.876
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.302
local terms energy: -110.618526
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -147.505071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.505071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.505071 (E_RNA)
where:
Base-Base interactions energy: -50.809
where: short stacking energy: -46.346
Base-Backbone interact. energy: 0.736
local terms energy: -97.432097
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -556.633173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.633173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.633173 (E_RNA)
where:
Base-Base interactions energy: -376.019
where: short stacking energy: -167.963
Base-Backbone interact. energy: -0.899
local terms energy: -179.714946
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -45.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -566.602870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.602870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.602870 (E_RNA)
where:
Base-Base interactions energy: -365.655
where: short stacking energy: -186.569
Base-Backbone interact. energy: -0.105
local terms energy: -200.843390
where:
bonds (distance) C4'-P energy: -37.467
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -57.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -496.697381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.697381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.697381 (E_RNA)
where:
Base-Base interactions energy: -320.969
where: short stacking energy: -163.201
Base-Backbone interact. energy: -1.233
local terms energy: -174.495384
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -39.659
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -45.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -473.377732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.377732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.377732 (E_RNA)
where:
Base-Base interactions energy: -304.044
where: short stacking energy: -146.272
Base-Backbone interact. energy: 0.964
local terms energy: -170.297259
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -38.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -446.774697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.774697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.774697 (E_RNA)
where:
Base-Base interactions energy: -284.674
where: short stacking energy: -133.989
Base-Backbone interact. energy: -1.106
local terms energy: -160.995427
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -35.603
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -335.221808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.221808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.221808 (E_RNA)
where:
Base-Base interactions energy: -207.030
where: short stacking energy: -116.949
Base-Backbone interact. energy: -1.104
local terms energy: -127.087213
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -331.471144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.471144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.471144 (E_RNA)
where:
Base-Base interactions energy: -182.477
where: short stacking energy: -85.309
Base-Backbone interact. energy: -0.573
local terms energy: -148.420981
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -308.690339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.690339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.690339 (E_RNA)
where:
Base-Base interactions energy: -173.715
where: short stacking energy: -87.648
Base-Backbone interact. energy: -1.171
local terms energy: -133.803922
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -299.705509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.705509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.705509 (E_RNA)
where:
Base-Base interactions energy: -164.042
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.925
local terms energy: -134.738174
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -152.122037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.122037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.122037 (E_RNA)
where:
Base-Base interactions energy: -46.383
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.293
local terms energy: -105.446840
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: 5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -549.069751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.069751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.069751 (E_RNA)
where:
Base-Base interactions energy: -367.613
where: short stacking energy: -171.825
Base-Backbone interact. energy: -0.132
local terms energy: -181.324814
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -51.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -571.504032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.504032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.504032 (E_RNA)
where:
Base-Base interactions energy: -374.666
where: short stacking energy: -180.249
Base-Backbone interact. energy: -0.063
local terms energy: -196.775378
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -58.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -480.247866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.247866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.247866 (E_RNA)
where:
Base-Base interactions energy: -311.502
where: short stacking energy: -164.800
Base-Backbone interact. energy: -0.107
local terms energy: -168.638791
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -49.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -450.796210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.796210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.796210 (E_RNA)
where:
Base-Base interactions energy: -290.113
where: short stacking energy: -132.533
Base-Backbone interact. energy: -0.013
local terms energy: -160.671009
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -37.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -433.611128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.611128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.611128 (E_RNA)
where:
Base-Base interactions energy: -278.775
where: short stacking energy: -139.545
Base-Backbone interact. energy: -0.993
local terms energy: -153.842396
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -36.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -356.522242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.522242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.522242 (E_RNA)
where:
Base-Base interactions energy: -213.586
where: short stacking energy: -110.987
Base-Backbone interact. energy: -0.006
local terms energy: -142.930897
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -37.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -324.572601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.572601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.572601 (E_RNA)
where:
Base-Base interactions energy: -187.329
where: short stacking energy: -90.712
Base-Backbone interact. energy: -1.021
local terms energy: -136.222400
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -309.021960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.021960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.021960 (E_RNA)
where:
Base-Base interactions energy: -175.418
where: short stacking energy: -92.633
Base-Backbone interact. energy: -0.349
local terms energy: -133.254589
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -297.066702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.066702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.066702 (E_RNA)
where:
Base-Base interactions energy: -173.911
where: short stacking energy: -81.610
Base-Backbone interact. energy: -1.039
local terms energy: -122.117473
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -173.956940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.956940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.956940 (E_RNA)
where:
Base-Base interactions energy: -65.087
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.398
local terms energy: -108.471036
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -554.735052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.735052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.735052 (E_RNA)
where:
Base-Base interactions energy: -359.139
where: short stacking energy: -172.328
Base-Backbone interact. energy: -0.179
local terms energy: -195.416802
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -44.030
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -52.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -556.549916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.549916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.549916 (E_RNA)
where:
Base-Base interactions energy: -365.805
where: short stacking energy: -179.207
Base-Backbone interact. energy: -0.146
local terms energy: -190.599406
where:
bonds (distance) C4'-P energy: -35.751
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -39.759
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: -55.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -492.974780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.974780 (E_RNA)
where:
Base-Base interactions energy: -325.787
where: short stacking energy: -150.760
Base-Backbone interact. energy: -0.168
local terms energy: -167.019990
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -472.042684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.042684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.042684 (E_RNA)
where:
Base-Base interactions energy: -309.632
where: short stacking energy: -137.787
Base-Backbone interact. energy: -0.622
local terms energy: -161.788148
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -437.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.839917 (E_RNA)
where:
Base-Base interactions energy: -282.847
where: short stacking energy: -129.917
Base-Backbone interact. energy: -1.067
local terms energy: -153.926065
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -27.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -339.769394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.769394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.769394 (E_RNA)
where:
Base-Base interactions energy: -203.200
where: short stacking energy: -97.373
Base-Backbone interact. energy: -0.411
local terms energy: -136.158580
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -316.834496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.834496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.834496 (E_RNA)
where:
Base-Base interactions energy: -183.124
where: short stacking energy: -97.336
Base-Backbone interact. energy: -0.546
local terms energy: -133.164510
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -281.576717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.576717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.576717 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -86.522
Base-Backbone interact. energy: -0.051
local terms energy: -135.535032
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -299.347556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.347556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.347556 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -89.539
Base-Backbone interact. energy: 1.385
local terms energy: -117.191900
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -147.571059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.571059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.571059 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.422
local terms energy: -103.912648
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: 3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -565.653438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.653438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.653438 (E_RNA)
where:
Base-Base interactions energy: -386.887
where: short stacking energy: -184.335
Base-Backbone interact. energy: -0.132
local terms energy: -178.633476
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -53.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -570.641685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.641685 (E_RNA)
where:
Base-Base interactions energy: -375.307
where: short stacking energy: -178.481
Base-Backbone interact. energy: -0.006
local terms energy: -195.329045
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -59.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -475.544940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.544940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.544940 (E_RNA)
where:
Base-Base interactions energy: -295.499
where: short stacking energy: -142.407
Base-Backbone interact. energy: -1.098
local terms energy: -178.948472
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -41.447
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -42.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -491.173873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.173873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.173873 (E_RNA)
where:
Base-Base interactions energy: -324.160
where: short stacking energy: -153.326
Base-Backbone interact. energy: -0.704
local terms energy: -166.309724
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -435.742922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.742922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.742922 (E_RNA)
where:
Base-Base interactions energy: -281.221
where: short stacking energy: -124.013
Base-Backbone interact. energy: -0.334
local terms energy: -154.187591
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -344.737367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.737367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.737367 (E_RNA)
where:
Base-Base interactions energy: -195.095
where: short stacking energy: -98.703
Base-Backbone interact. energy: 0.674
local terms energy: -150.316088
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -319.044470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.044470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.044470 (E_RNA)
where:
Base-Base interactions energy: -182.880
where: short stacking energy: -98.143
Base-Backbone interact. energy: 0.015
local terms energy: -136.179233
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -296.902216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.902216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.902216 (E_RNA)
where:
Base-Base interactions energy: -172.558
where: short stacking energy: -88.227
Base-Backbone interact. energy: 0.432
local terms energy: -124.775737
where:
bonds (distance) C4'-P energy: -27.462
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -255.991954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.991954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.991954 (E_RNA)
where:
Base-Base interactions energy: -134.301
where: short stacking energy: -83.964
Base-Backbone interact. energy: 0.235
local terms energy: -121.926599
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -175.585551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.585551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.585551 (E_RNA)
where:
Base-Base interactions energy: -63.401
where: short stacking energy: -51.310
Base-Backbone interact. energy: 1.114
local terms energy: -113.298233
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -577.121612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.121612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.121612 (E_RNA)
where:
Base-Base interactions energy: -383.219
where: short stacking energy: -187.898
Base-Backbone interact. energy: -0.189
local terms energy: -193.713843
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -558.841348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.841348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.841348 (E_RNA)
where:
Base-Base interactions energy: -371.578
where: short stacking energy: -176.326
Base-Backbone interact. energy: -0.138
local terms energy: -187.125680
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -51.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -488.655085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.655085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.655085 (E_RNA)
where:
Base-Base interactions energy: -312.530
where: short stacking energy: -142.583
Base-Backbone interact. energy: -0.881
local terms energy: -175.244561
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -38.669
flat angles C4'-P-C4' energy: -41.042
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -43.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -491.207783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.207783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.207783 (E_RNA)
where:
Base-Base interactions energy: -312.324
where: short stacking energy: -150.478
Base-Backbone interact. energy: -1.348
local terms energy: -177.536263
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -37.863
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -46.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -452.274851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.274851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.274851 (E_RNA)
where:
Base-Base interactions energy: -295.862
where: short stacking energy: -126.404
Base-Backbone interact. energy: 2.367
local terms energy: -158.780255
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -338.323505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.323505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.323505 (E_RNA)
where:
Base-Base interactions energy: -185.219
where: short stacking energy: -94.986
Base-Backbone interact. energy: 0.015
local terms energy: -153.118826
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -37.461
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -339.536588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.536588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.536588 (E_RNA)
where:
Base-Base interactions energy: -208.859
where: short stacking energy: -104.647
Base-Backbone interact. energy: -0.477
local terms energy: -130.200156
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -279.651855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.651855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.651855 (E_RNA)
where:
Base-Base interactions energy: -162.224
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.379
local terms energy: -117.049001
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -295.900366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.900366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.900366 (E_RNA)
where:
Base-Base interactions energy: -175.902
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.524
local terms energy: -119.474222
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -163.255801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.255801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.255801 (E_RNA)
where:
Base-Base interactions energy: -46.861
where: short stacking energy: -36.949
Base-Backbone interact. energy: -0.207
local terms energy: -116.187976
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: 2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -578.671527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.671527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.671527 (E_RNA)
where:
Base-Base interactions energy: -379.587
where: short stacking energy: -186.921
Base-Backbone interact. energy: -0.724
local terms energy: -198.360718
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -44.981
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -55.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -558.444184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.444184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.444184 (E_RNA)
where:
Base-Base interactions energy: -367.112
where: short stacking energy: -171.440
Base-Backbone interact. energy: 0.202
local terms energy: -191.533813
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: -54.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -484.475148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.475148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.475148 (E_RNA)
where:
Base-Base interactions energy: -310.629
where: short stacking energy: -151.494
Base-Backbone interact. energy: -0.154
local terms energy: -173.692498
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -42.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -510.249977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.249977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.249977 (E_RNA)
where:
Base-Base interactions energy: -331.170
where: short stacking energy: -157.477
Base-Backbone interact. energy: -1.577
local terms energy: -177.502746
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -48.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -447.265625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.265625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.265625 (E_RNA)
where:
Base-Base interactions energy: -291.178
where: short stacking energy: -120.121
Base-Backbone interact. energy: -0.231
local terms energy: -155.857387
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -352.771664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.771664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.771664 (E_RNA)
where:
Base-Base interactions energy: -203.774
where: short stacking energy: -113.232
Base-Backbone interact. energy: 1.948
local terms energy: -150.945432
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -39.291
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -27.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -339.788546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.788546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.788546 (E_RNA)
where:
Base-Base interactions energy: -191.696
where: short stacking energy: -106.556
Base-Backbone interact. energy: -0.501
local terms energy: -147.591629
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -32.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -319.992626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.992626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.992626 (E_RNA)
where:
Base-Base interactions energy: -184.440
where: short stacking energy: -80.099
Base-Backbone interact. energy: -0.078
local terms energy: -135.475576
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -260.065482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.065482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.065482 (E_RNA)
where:
Base-Base interactions energy: -129.123
where: short stacking energy: -71.701
Base-Backbone interact. energy: -1.176
local terms energy: -129.766330
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -41.257
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -164.320878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.320878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.320878 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -56.907
Base-Backbone interact. energy: 1.917
local terms energy: -98.341393
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -566.386050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.386050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.386050 (E_RNA)
where:
Base-Base interactions energy: -370.237
where: short stacking energy: -174.082
Base-Backbone interact. energy: 1.536
local terms energy: -197.685489
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -54.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -569.002801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.002801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.002801 (E_RNA)
where:
Base-Base interactions energy: -374.208
where: short stacking energy: -185.448
Base-Backbone interact. energy: -0.133
local terms energy: -194.661309
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -29.782
tors. eta vs tors. theta energy: -57.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -504.774237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.774237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.774237 (E_RNA)
where:
Base-Base interactions energy: -331.039
where: short stacking energy: -152.674
Base-Backbone interact. energy: -0.751
local terms energy: -172.984238
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -460.382966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.382966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.382966 (E_RNA)
where:
Base-Base interactions energy: -305.215
where: short stacking energy: -131.079
Base-Backbone interact. energy: -0.442
local terms energy: -154.726100
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -454.403973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.403973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.403973 (E_RNA)
where:
Base-Base interactions energy: -297.407
where: short stacking energy: -130.382
Base-Backbone interact. energy: -0.405
local terms energy: -156.592764
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -352.193575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.193575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.193575 (E_RNA)
where:
Base-Base interactions energy: -203.576
where: short stacking energy: -112.102
Base-Backbone interact. energy: 0.763
local terms energy: -149.380361
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -28.346
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -31.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -330.136856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.136856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.136856 (E_RNA)
where:
Base-Base interactions energy: -193.526
where: short stacking energy: -94.138
Base-Backbone interact. energy: -0.068
local terms energy: -136.542832
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -313.152208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.152208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.152208 (E_RNA)
where:
Base-Base interactions energy: -182.061
where: short stacking energy: -84.990
Base-Backbone interact. energy: -1.262
local terms energy: -129.828884
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -254.508972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.508972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.508972 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.378
local terms energy: -114.643435
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -152.577465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.577465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.577465 (E_RNA)
where:
Base-Base interactions energy: -62.353
where: short stacking energy: -49.128
Base-Backbone interact. energy: 1.036
local terms energy: -91.260625
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -563.617945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.617945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.617945 (E_RNA)
where:
Base-Base interactions energy: -381.174
where: short stacking energy: -177.965
Base-Backbone interact. energy: -0.276
local terms energy: -182.167780
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -41.436
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -49.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -571.897043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.897043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.897043 (E_RNA)
where:
Base-Base interactions energy: -371.828
where: short stacking energy: -195.734
Base-Backbone interact. energy: -0.008
local terms energy: -200.060856
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -62.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -491.055209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.055209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.055209 (E_RNA)
where:
Base-Base interactions energy: -316.281
where: short stacking energy: -148.032
Base-Backbone interact. energy: 0.593
local terms energy: -175.367309
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -40.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -478.839616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.839616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.839616 (E_RNA)
where:
Base-Base interactions energy: -311.323
where: short stacking energy: -141.760
Base-Backbone interact. energy: -0.871
local terms energy: -166.646445
where:
bonds (distance) C4'-P energy: -32.844
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -42.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -447.402050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.402050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.402050 (E_RNA)
where:
Base-Base interactions energy: -288.171
where: short stacking energy: -133.276
Base-Backbone interact. energy: -0.444
local terms energy: -158.786535
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -336.177233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.177233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.177233 (E_RNA)
where:
Base-Base interactions energy: -196.549
where: short stacking energy: -111.257
Base-Backbone interact. energy: -2.815
local terms energy: -136.813630
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -315.109816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.109816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.109816 (E_RNA)
where:
Base-Base interactions energy: -179.003
where: short stacking energy: -92.075
Base-Backbone interact. energy: -0.345
local terms energy: -135.761857
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -309.299408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.299408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.299408 (E_RNA)
where:
Base-Base interactions energy: -179.309
where: short stacking energy: -97.380
Base-Backbone interact. energy: 0.152
local terms energy: -130.142705
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -255.803420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.803420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.803420 (E_RNA)
where:
Base-Base interactions energy: -149.922
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.170
local terms energy: -105.711384
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -151.006404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.006404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.006404 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -34.574
Base-Backbone interact. energy: 0.078
local terms energy: -106.762394
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -568.935345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.935345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.935345 (E_RNA)
where:
Base-Base interactions energy: -378.926
where: short stacking energy: -183.313
Base-Backbone interact. energy: -0.163
local terms energy: -189.845602
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -37.019
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -53.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -561.585569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.585569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.585569 (E_RNA)
where:
Base-Base interactions energy: -369.562
where: short stacking energy: -183.007
Base-Backbone interact. energy: -0.643
local terms energy: -191.380657
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -42.540
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -56.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -500.207479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.207479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.207479 (E_RNA)
where:
Base-Base interactions energy: -329.040
where: short stacking energy: -137.280
Base-Backbone interact. energy: 0.003
local terms energy: -171.170355
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -473.108824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.108824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.108824 (E_RNA)
where:
Base-Base interactions energy: -303.614
where: short stacking energy: -137.907
Base-Backbone interact. energy: -0.862
local terms energy: -168.633266
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -419.980132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.980132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.980132 (E_RNA)
where:
Base-Base interactions energy: -258.810
where: short stacking energy: -128.007
Base-Backbone interact. energy: 0.423
local terms energy: -161.592930
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -31.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -343.492899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.492899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.492899 (E_RNA)
where:
Base-Base interactions energy: -199.420
where: short stacking energy: -102.374
Base-Backbone interact. energy: -0.136
local terms energy: -143.936902
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -342.313866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.313866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.313866 (E_RNA)
where:
Base-Base interactions energy: -210.389
where: short stacking energy: -117.232
Base-Backbone interact. energy: -0.241
local terms energy: -131.684190
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -29.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -324.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.177712 (E_RNA)
where:
Base-Base interactions energy: -187.802
where: short stacking energy: -90.498
Base-Backbone interact. energy: 2.181
local terms energy: -138.557638
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -29.849
flat angles C4'-P-C4' energy: -40.371
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -317.443934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.443934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.443934 (E_RNA)
where:
Base-Base interactions energy: -195.828
where: short stacking energy: -92.355
Base-Backbone interact. energy: -0.292
local terms energy: -121.323733
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -183.853237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853237 (E_RNA)
where:
Base-Base interactions energy: -63.531
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.289
local terms energy: -120.033608
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -34.452
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -582.061210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.061210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.061210 (E_RNA)
where:
Base-Base interactions energy: -383.402
where: short stacking energy: -191.805
Base-Backbone interact. energy: -0.007
local terms energy: -198.652438
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -41.493
flat angles P-C4'-P energy: -31.166
tors. eta vs tors. theta energy: -60.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -558.062979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.062979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.062979 (E_RNA)
where:
Base-Base interactions energy: -371.473
where: short stacking energy: -170.567
Base-Backbone interact. energy: -0.224
local terms energy: -186.366681
where:
bonds (distance) C4'-P energy: -33.811
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -41.824
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -55.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -514.496608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.496608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.496608 (E_RNA)
where:
Base-Base interactions energy: -340.399
where: short stacking energy: -159.286
Base-Backbone interact. energy: -0.207
local terms energy: -173.889909
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -43.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -487.125095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.125095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.125095 (E_RNA)
where:
Base-Base interactions energy: -315.500
where: short stacking energy: -148.898
Base-Backbone interact. energy: 0.299
local terms energy: -171.923526
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -41.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -429.117648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.117648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.117648 (E_RNA)
where:
Base-Base interactions energy: -276.377
where: short stacking energy: -131.247
Base-Backbone interact. energy: -0.106
local terms energy: -152.634497
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -344.333669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.333669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.333669 (E_RNA)
where:
Base-Base interactions energy: -210.937
where: short stacking energy: -105.443
Base-Backbone interact. energy: -1.389
local terms energy: -132.007267
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -328.394069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.394069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.394069 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -93.538
Base-Backbone interact. energy: -0.234
local terms energy: -145.576685
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -34.348
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -317.338417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.338417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.338417 (E_RNA)
where:
Base-Base interactions energy: -189.947
where: short stacking energy: -84.951
Base-Backbone interact. energy: -0.746
local terms energy: -126.645240
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -308.812032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.812032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.812032 (E_RNA)
where:
Base-Base interactions energy: -177.136
where: short stacking energy: -88.073
Base-Backbone interact. energy: -2.838
local terms energy: -128.837588
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -173.569756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.569756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569756 (E_RNA)
where:
Base-Base interactions energy: -85.352
where: short stacking energy: -48.288
Base-Backbone interact. energy: 1.893
local terms energy: -90.111149
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -559.624255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.624255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.624255 (E_RNA)
where:
Base-Base interactions energy: -367.394
where: short stacking energy: -177.564
Base-Backbone interact. energy: -0.218
local terms energy: -192.011962
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -58.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -572.020412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.020412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.020412 (E_RNA)
where:
Base-Base interactions energy: -380.381
where: short stacking energy: -188.113
Base-Backbone interact. energy: -0.062
local terms energy: -191.577416
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -35.522
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -60.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -507.253175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.253175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.253175 (E_RNA)
where:
Base-Base interactions energy: -338.567
where: short stacking energy: -157.794
Base-Backbone interact. energy: -0.835
local terms energy: -167.851831
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -49.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -487.860273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.860273 (E_RNA)
where:
Base-Base interactions energy: -318.716
where: short stacking energy: -133.247
Base-Backbone interact. energy: -0.315
local terms energy: -168.829716
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -33.222
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -41.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -424.737698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.737698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.737698 (E_RNA)
where:
Base-Base interactions energy: -283.410
where: short stacking energy: -125.601
Base-Backbone interact. energy: 1.121
local terms energy: -142.448856
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -349.205381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.205381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.205381 (E_RNA)
where:
Base-Base interactions energy: -209.747
where: short stacking energy: -115.690
Base-Backbone interact. energy: -0.608
local terms energy: -138.850386
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -329.727013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.727013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.727013 (E_RNA)
where:
Base-Base interactions energy: -184.281
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.159
local terms energy: -145.287199
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -28.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -322.750823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.750823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.750823 (E_RNA)
where:
Base-Base interactions energy: -181.800
where: short stacking energy: -90.306
Base-Backbone interact. energy: -0.192
local terms energy: -140.759068
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -170.681606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.681606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.681606 (E_RNA)
where:
Base-Base interactions energy: -60.138
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.292
local terms energy: -110.251762
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -284.965930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.965930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.965930 (E_RNA)
where:
Base-Base interactions energy: -180.450
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.416
local terms energy: -104.100127
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -549.714199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.714199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.714199 (E_RNA)
where:
Base-Base interactions energy: -360.867
where: short stacking energy: -170.927
Base-Backbone interact. energy: 0.418
local terms energy: -189.264767
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -42.367
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -53.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -565.761379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.761379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.761379 (E_RNA)
where:
Base-Base interactions energy: -381.073
where: short stacking energy: -176.306
Base-Backbone interact. energy: -0.180
local terms energy: -184.508168
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -42.306
flat angles C4'-P-C4' energy: -35.662
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -53.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -477.052525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.052525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.052525 (E_RNA)
where:
Base-Base interactions energy: -310.452
where: short stacking energy: -148.348
Base-Backbone interact. energy: -0.062
local terms energy: -166.537820
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -37.659
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -44.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -477.168714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.168714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.168714 (E_RNA)
where:
Base-Base interactions energy: -316.513
where: short stacking energy: -143.674
Base-Backbone interact. energy: 0.523
local terms energy: -161.178260
where:
bonds (distance) C4'-P energy: -34.327
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -450.527846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.527846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.527846 (E_RNA)
where:
Base-Base interactions energy: -291.504
where: short stacking energy: -128.353
Base-Backbone interact. energy: -2.354
local terms energy: -156.669316
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -31.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -339.620613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.620613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.620613 (E_RNA)
where:
Base-Base interactions energy: -202.635
where: short stacking energy: -91.674
Base-Backbone interact. energy: 1.184
local terms energy: -138.169569
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -338.744356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.744356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.744356 (E_RNA)
where:
Base-Base interactions energy: -185.027
where: short stacking energy: -92.211
Base-Backbone interact. energy: -0.126
local terms energy: -153.592138
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -35.519
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -315.346618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.346618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.346618 (E_RNA)
where:
Base-Base interactions energy: -179.264
where: short stacking energy: -99.546
Base-Backbone interact. energy: -1.004
local terms energy: -135.078652
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -183.473163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.473163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.473163 (E_RNA)
where:
Base-Base interactions energy: -76.652
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.924
local terms energy: -105.897548
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -279.155201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.155201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.155201 (E_RNA)
where:
Base-Base interactions energy: -146.969
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.583
local terms energy: -131.603265
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -579.001674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.001674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.001674 (E_RNA)
where:
Base-Base interactions energy: -389.456
where: short stacking energy: -193.207
Base-Backbone interact. energy: -0.091
local terms energy: -189.454500
where:
bonds (distance) C4'-P energy: -33.783
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -39.919
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -61.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -545.750199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.750199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.750199 (E_RNA)
where:
Base-Base interactions energy: -356.731
where: short stacking energy: -162.978
Base-Backbone interact. energy: -1.004
local terms energy: -188.015328
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -37.454
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -52.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -499.759372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.759372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.759372 (E_RNA)
where:
Base-Base interactions energy: -322.071
where: short stacking energy: -162.798
Base-Backbone interact. energy: -0.386
local terms energy: -177.302145
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -52.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -473.657054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.657054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.657054 (E_RNA)
where:
Base-Base interactions energy: -308.553
where: short stacking energy: -140.707
Base-Backbone interact. energy: -0.188
local terms energy: -164.916763
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -41.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -430.672544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.672544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.672544 (E_RNA)
where:
Base-Base interactions energy: -276.041
where: short stacking energy: -119.202
Base-Backbone interact. energy: -0.877
local terms energy: -153.754720
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -32.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -347.169528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.169528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.169528 (E_RNA)
where:
Base-Base interactions energy: -200.901
where: short stacking energy: -102.206
Base-Backbone interact. energy: 0.725
local terms energy: -146.993871
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -333.677651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.677651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.677651 (E_RNA)
where:
Base-Base interactions energy: -196.935
where: short stacking energy: -90.334
Base-Backbone interact. energy: -0.405
local terms energy: -136.337348
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -34.233
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -317.639091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.639091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.639091 (E_RNA)
where:
Base-Base interactions energy: -190.057
where: short stacking energy: -90.845
Base-Backbone interact. energy: -0.712
local terms energy: -126.870228
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -303.025346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.025346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.025346 (E_RNA)
where:
Base-Base interactions energy: -179.395
where: short stacking energy: -93.042
Base-Backbone interact. energy: -0.676
local terms energy: -122.954092
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -161.886168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.886168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.886168 (E_RNA)
where:
Base-Base interactions energy: -65.490
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.112
local terms energy: -96.284266
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -32.482
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -583.898687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.898687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.898687 (E_RNA)
where:
Base-Base interactions energy: -385.381
where: short stacking energy: -191.691
Base-Backbone interact. energy: -0.529
local terms energy: -197.988387
where:
bonds (distance) C4'-P energy: -28.371
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -42.184
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: -59.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -542.735024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.735024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.735024 (E_RNA)
where:
Base-Base interactions energy: -351.389
where: short stacking energy: -160.690
Base-Backbone interact. energy: 2.518
local terms energy: -193.864176
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -39.011
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -56.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -484.286323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.286323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.286323 (E_RNA)
where:
Base-Base interactions energy: -319.990
where: short stacking energy: -135.453
Base-Backbone interact. energy: -0.258
local terms energy: -164.038394
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -37.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -465.360327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.360327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.360327 (E_RNA)
where:
Base-Base interactions energy: -299.480
where: short stacking energy: -137.304
Base-Backbone interact. energy: -0.367
local terms energy: -165.514013
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -37.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -434.684308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.684308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.684308 (E_RNA)
where:
Base-Base interactions energy: -293.712
where: short stacking energy: -135.008
Base-Backbone interact. energy: -0.900
local terms energy: -140.072169
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -38.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -336.738033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.738033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.738033 (E_RNA)
where:
Base-Base interactions energy: -197.576
where: short stacking energy: -97.712
Base-Backbone interact. energy: 1.243
local terms energy: -140.405130
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -331.226492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.226492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.226492 (E_RNA)
where:
Base-Base interactions energy: -187.612
where: short stacking energy: -95.545
Base-Backbone interact. energy: -0.195
local terms energy: -143.419143
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -306.472867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.472867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.472867 (E_RNA)
where:
Base-Base interactions energy: -181.490
where: short stacking energy: -82.542
Base-Backbone interact. energy: -0.941
local terms energy: -124.041745
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -316.780456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.780456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.780456 (E_RNA)
where:
Base-Base interactions energy: -172.633
where: short stacking energy: -85.580
Base-Backbone interact. energy: -0.363
local terms energy: -143.785173
where:
bonds (distance) C4'-P energy: -32.766
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -182.304645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.304645 (E_RNA)
where:
Base-Base interactions energy: -75.736
where: short stacking energy: -67.364
Base-Backbone interact. energy: 9.543
local terms energy: -116.111797
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -547.991286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.991286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.991286 (E_RNA)
where:
Base-Base interactions energy: -365.149
where: short stacking energy: -173.306
Base-Backbone interact. energy: -0.390
local terms energy: -182.452237
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -36.733
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -55.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -570.009638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.009638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.009638 (E_RNA)
where:
Base-Base interactions energy: -372.243
where: short stacking energy: -185.566
Base-Backbone interact. energy: -0.066
local terms energy: -197.700329
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -39.369
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -62.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -497.993739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.993739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.993739 (E_RNA)
where:
Base-Base interactions energy: -312.833
where: short stacking energy: -143.552
Base-Backbone interact. energy: -0.476
local terms energy: -184.684858
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -49.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -469.440419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.440419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.440419 (E_RNA)
where:
Base-Base interactions energy: -306.137
where: short stacking energy: -132.137
Base-Backbone interact. energy: -0.793
local terms energy: -162.510503
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -42.192
flat angles C4'-P-C4' energy: -33.641
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -445.379644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.379644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.379644 (E_RNA)
where:
Base-Base interactions energy: -295.159
where: short stacking energy: -124.474
Base-Backbone interact. energy: -1.208
local terms energy: -149.012805
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -365.131218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.131218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.131218 (E_RNA)
where:
Base-Base interactions energy: -214.883
where: short stacking energy: -120.298
Base-Backbone interact. energy: -0.412
local terms energy: -149.835892
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -333.900403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.900403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.900403 (E_RNA)
where:
Base-Base interactions energy: -195.930
where: short stacking energy: -101.028
Base-Backbone interact. energy: -0.611
local terms energy: -137.359282
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -312.682793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.682793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.682793 (E_RNA)
where:
Base-Base interactions energy: -179.174
where: short stacking energy: -82.518
Base-Backbone interact. energy: -0.963
local terms energy: -132.545503
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -298.608339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.608339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.608339 (E_RNA)
where:
Base-Base interactions energy: -164.041
where: short stacking energy: -82.484
Base-Backbone interact. energy: 0.556
local terms energy: -135.123239
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -182.136553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.136553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.136553 (E_RNA)
where:
Base-Base interactions energy: -91.553
where: short stacking energy: -64.499
Base-Backbone interact. energy: 5.578
local terms energy: -96.161162
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -545.678263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.678263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.678263 (E_RNA)
where:
Base-Base interactions energy: -360.754
where: short stacking energy: -170.083
Base-Backbone interact. energy: -1.054
local terms energy: -183.869970
where:
bonds (distance) C4'-P energy: -34.889
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -50.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -584.364960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.364960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.364960 (E_RNA)
where:
Base-Base interactions energy: -388.251
where: short stacking energy: -184.099
Base-Backbone interact. energy: -0.005
local terms energy: -196.109470
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -43.885
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -61.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -507.035999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.035999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.035999 (E_RNA)
where:
Base-Base interactions energy: -339.257
where: short stacking energy: -160.701
Base-Backbone interact. energy: -0.195
local terms energy: -167.583976
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -38.049
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -48.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -440.179342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.179342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.179342 (E_RNA)
where:
Base-Base interactions energy: -299.906
where: short stacking energy: -148.368
Base-Backbone interact. energy: -0.189
local terms energy: -140.084258
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -443.306988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.306988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.306988 (E_RNA)
where:
Base-Base interactions energy: -282.691
where: short stacking energy: -136.426
Base-Backbone interact. energy: -0.292
local terms energy: -160.324621
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -33.477
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -32.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -335.117479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.117479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.117479 (E_RNA)
where:
Base-Base interactions energy: -205.218
where: short stacking energy: -104.261
Base-Backbone interact. energy: -0.643
local terms energy: -129.255702
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -330.441286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.441286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.441286 (E_RNA)
where:
Base-Base interactions energy: -181.224
where: short stacking energy: -93.042
Base-Backbone interact. energy: -0.307
local terms energy: -148.910648
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -331.433538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.433538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.433538 (E_RNA)
where:
Base-Base interactions energy: -192.233
where: short stacking energy: -100.094
Base-Backbone interact. energy: -1.128
local terms energy: -138.071884
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -319.872858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.872858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.872858 (E_RNA)
where:
Base-Base interactions energy: -184.994
where: short stacking energy: -89.830
Base-Backbone interact. energy: -0.418
local terms energy: -134.461042
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -28.831
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -163.269459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269459 (E_RNA)
where:
Base-Base interactions energy: -57.548
where: short stacking energy: -48.480
Base-Backbone interact. energy: 0.671
local terms energy: -106.392205
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -588.625820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.625820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.625820 (E_RNA)
where:
Base-Base interactions energy: -383.553
where: short stacking energy: -190.163
Base-Backbone interact. energy: -0.127
local terms energy: -204.945747
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -60.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -548.289998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.289998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.289998 (E_RNA)
where:
Base-Base interactions energy: -355.396
where: short stacking energy: -177.130
Base-Backbone interact. energy: 0.558
local terms energy: -193.451921
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -41.045
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -54.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -501.581695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.581695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.581695 (E_RNA)
where:
Base-Base interactions energy: -318.603
where: short stacking energy: -154.557
Base-Backbone interact. energy: -0.692
local terms energy: -182.286061
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -434.257625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.257625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.257625 (E_RNA)
where:
Base-Base interactions energy: -271.590
where: short stacking energy: -132.869
Base-Backbone interact. energy: -0.386
local terms energy: -162.281509
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -41.803
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -36.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -482.635487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.635487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.635487 (E_RNA)
where:
Base-Base interactions energy: -306.058
where: short stacking energy: -148.861
Base-Backbone interact. energy: -0.758
local terms energy: -175.820043
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -414.571074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.571074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.571074 (E_RNA)
where:
Base-Base interactions energy: -257.538
where: short stacking energy: -134.121
Base-Backbone interact. energy: -1.275
local terms energy: -155.758164
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -39.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -338.669296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.669296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.669296 (E_RNA)
where:
Base-Base interactions energy: -200.172
where: short stacking energy: -94.280
Base-Backbone interact. energy: -0.099
local terms energy: -138.398587
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -26.228
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -320.472017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.472017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.472017 (E_RNA)
where:
Base-Base interactions energy: -197.992
where: short stacking energy: -95.594
Base-Backbone interact. energy: -0.535
local terms energy: -121.944865
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -306.959872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.959872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.959872 (E_RNA)
where:
Base-Base interactions energy: -170.770
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.239
local terms energy: -135.950340
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -159.386357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.386357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.386357 (E_RNA)
where:
Base-Base interactions energy: -58.833
where: short stacking energy: -37.112
Base-Backbone interact. energy: -1.341
local terms energy: -99.213062
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: 5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -583.725378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.725378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.725378 (E_RNA)
where:
Base-Base interactions energy: -384.634
where: short stacking energy: -184.711
Base-Backbone interact. energy: -0.172
local terms energy: -198.918479
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -39.496
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -60.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -551.722301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.722301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.722301 (E_RNA)
where:
Base-Base interactions energy: -355.946
where: short stacking energy: -168.889
Base-Backbone interact. energy: 0.081
local terms energy: -195.856484
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -42.342
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -54.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -504.051088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.051088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.051088 (E_RNA)
where:
Base-Base interactions energy: -328.189
where: short stacking energy: -157.213
Base-Backbone interact. energy: -0.216
local terms energy: -175.645636
where:
bonds (distance) C4'-P energy: -39.729
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -46.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -510.357792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.357792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.357792 (E_RNA)
where:
Base-Base interactions energy: -328.118
where: short stacking energy: -164.263
Base-Backbone interact. energy: -0.820
local terms energy: -181.419681
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -55.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -438.260792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.260792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.260792 (E_RNA)
where:
Base-Base interactions energy: -279.404
where: short stacking energy: -140.180
Base-Backbone interact. energy: -0.935
local terms energy: -157.921897
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -401.233555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.233555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.233555 (E_RNA)
where:
Base-Base interactions energy: -250.902
where: short stacking energy: -126.105
Base-Backbone interact. energy: 0.028
local terms energy: -150.359802
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -30.153
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -320.193478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.193478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.193478 (E_RNA)
where:
Base-Base interactions energy: -186.690
where: short stacking energy: -97.801
Base-Backbone interact. energy: -0.448
local terms energy: -133.056437
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -334.607358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.607358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.607358 (E_RNA)
where:
Base-Base interactions energy: -200.513
where: short stacking energy: -98.543
Base-Backbone interact. energy: 1.114
local terms energy: -135.208932
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -35.452
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -285.273976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.273976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.273976 (E_RNA)
where:
Base-Base interactions energy: -165.321
where: short stacking energy: -71.456
Base-Backbone interact. energy: -0.365
local terms energy: -119.587930
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -164.306799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.306799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.306799 (E_RNA)
where:
Base-Base interactions energy: -59.815
where: short stacking energy: -54.620
Base-Backbone interact. energy: 1.452
local terms energy: -105.943853
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -570.672256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.672256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.672256 (E_RNA)
where:
Base-Base interactions energy: -383.740
where: short stacking energy: -175.493
Base-Backbone interact. energy: 0.190
local terms energy: -187.122916
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -56.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -566.093253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.093253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.093253 (E_RNA)
where:
Base-Base interactions energy: -378.136
where: short stacking energy: -188.211
Base-Backbone interact. energy: -0.043
local terms energy: -187.914139
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -57.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -498.193179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.193179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.193179 (E_RNA)
where:
Base-Base interactions energy: -323.064
where: short stacking energy: -144.673
Base-Backbone interact. energy: -0.251
local terms energy: -174.877983
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -38.366
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -41.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -490.343882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.343882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.343882 (E_RNA)
where:
Base-Base interactions energy: -316.606
where: short stacking energy: -137.665
Base-Backbone interact. energy: -0.163
local terms energy: -173.575191
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -376.809048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.809048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.809048 (E_RNA)
where:
Base-Base interactions energy: -237.436
where: short stacking energy: -113.283
Base-Backbone interact. energy: -0.793
local terms energy: -138.580079
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -425.489609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.489609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.489609 (E_RNA)
where:
Base-Base interactions energy: -278.630
where: short stacking energy: -129.680
Base-Backbone interact. energy: -0.471
local terms energy: -146.389346
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -32.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -339.864292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.864292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.864292 (E_RNA)
where:
Base-Base interactions energy: -204.516
where: short stacking energy: -90.955
Base-Backbone interact. energy: -0.469
local terms energy: -134.879355
where:
bonds (distance) C4'-P energy: -33.577
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -310.738319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.738319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.738319 (E_RNA)
where:
Base-Base interactions energy: -175.080
where: short stacking energy: -90.821
Base-Backbone interact. energy: -0.155
local terms energy: -135.503341
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -313.418441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.418441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.418441 (E_RNA)
where:
Base-Base interactions energy: -181.775
where: short stacking energy: -93.936
Base-Backbone interact. energy: 1.583
local terms energy: -133.226680
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -172.193563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.193563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.193563 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -37.791
Base-Backbone interact. energy: 1.721
local terms energy: -105.390426
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -576.429143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.429143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.429143 (E_RNA)
where:
Base-Base interactions energy: -388.434
where: short stacking energy: -183.300
Base-Backbone interact. energy: 3.527
local terms energy: -191.522303
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -58.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -566.080147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.080147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.080147 (E_RNA)
where:
Base-Base interactions energy: -379.666
where: short stacking energy: -182.315
Base-Backbone interact. energy: -0.037
local terms energy: -186.377478
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -30.664
flat angles C4'-P-C4' energy: -45.537
flat angles P-C4'-P energy: -28.415
tors. eta vs tors. theta energy: -55.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -522.668373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.668373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.668373 (E_RNA)
where:
Base-Base interactions energy: -343.852
where: short stacking energy: -160.609
Base-Backbone interact. energy: -1.157
local terms energy: -177.660079
where:
bonds (distance) C4'-P energy: -35.903
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -52.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -490.559359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.559359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.559359 (E_RNA)
where:
Base-Base interactions energy: -313.023
where: short stacking energy: -143.344
Base-Backbone interact. energy: 1.968
local terms energy: -179.504322
where:
bonds (distance) C4'-P energy: -33.706
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -370.294474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.294474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.294474 (E_RNA)
where:
Base-Base interactions energy: -223.138
where: short stacking energy: -105.216
Base-Backbone interact. energy: -0.482
local terms energy: -146.675108
where:
bonds (distance) C4'-P energy: -35.967
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -417.104727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.104727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.104727 (E_RNA)
where:
Base-Base interactions energy: -271.447
where: short stacking energy: -122.130
Base-Backbone interact. energy: -0.700
local terms energy: -144.958044
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -321.598895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.598895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.598895 (E_RNA)
where:
Base-Base interactions energy: -196.019
where: short stacking energy: -92.017
Base-Backbone interact. energy: -0.862
local terms energy: -124.718479
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -316.661133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.661133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.661133 (E_RNA)
where:
Base-Base interactions energy: -188.579
where: short stacking energy: -94.721
Base-Backbone interact. energy: 0.678
local terms energy: -128.760091
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -294.223859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.223859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.223859 (E_RNA)
where:
Base-Base interactions energy: -168.113
where: short stacking energy: -85.501
Base-Backbone interact. energy: 2.885
local terms energy: -128.996112
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -152.388683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.388683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.388683 (E_RNA)
where:
Base-Base interactions energy: -43.730
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.590
local terms energy: -108.068678
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -564.207463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.207463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.207463 (E_RNA)
where:
Base-Base interactions energy: -370.725
where: short stacking energy: -188.100
Base-Backbone interact. energy: -0.054
local terms energy: -193.428534
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -37.195
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -54.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -554.551897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.551897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.551897 (E_RNA)
where:
Base-Base interactions energy: -367.100
where: short stacking energy: -168.070
Base-Backbone interact. energy: -0.011
local terms energy: -187.440144
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -52.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -520.050621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.050621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.050621 (E_RNA)
where:
Base-Base interactions energy: -351.777
where: short stacking energy: -161.012
Base-Backbone interact. energy: 0.949
local terms energy: -169.222209
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -48.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -495.637493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.637493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.637493 (E_RNA)
where:
Base-Base interactions energy: -328.207
where: short stacking energy: -158.701
Base-Backbone interact. energy: -0.056
local terms energy: -167.374504
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -46.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -410.669315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.669315 (E_RNA)
where:
Base-Base interactions energy: -271.917
where: short stacking energy: -126.443
Base-Backbone interact. energy: -0.880
local terms energy: -137.872593
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -40.786
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -358.782904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.782904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.782904 (E_RNA)
where:
Base-Base interactions energy: -206.007
where: short stacking energy: -104.268
Base-Backbone interact. energy: -1.324
local terms energy: -151.451663
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -332.838393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.838393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.838393 (E_RNA)
where:
Base-Base interactions energy: -186.133
where: short stacking energy: -98.393
Base-Backbone interact. energy: -0.385
local terms energy: -146.320339
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -320.585204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.585204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.585204 (E_RNA)
where:
Base-Base interactions energy: -184.671
where: short stacking energy: -86.144
Base-Backbone interact. energy: 0.305
local terms energy: -136.219327
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -299.266827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.266827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.266827 (E_RNA)
where:
Base-Base interactions energy: -195.485
where: short stacking energy: -90.281
Base-Backbone interact. energy: -1.492
local terms energy: -102.289628
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -151.776694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.776694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.776694 (E_RNA)
where:
Base-Base interactions energy: -53.970
where: short stacking energy: -45.724
Base-Backbone interact. energy: 0.809
local terms energy: -98.615592
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: 9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -588.653645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.653645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.653645 (E_RNA)
where:
Base-Base interactions energy: -392.739
where: short stacking energy: -197.639
Base-Backbone interact. energy: -0.007
local terms energy: -195.907968
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -35.918
flat angles C4'-P-C4' energy: -42.088
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -61.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -541.701200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.701200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.701200 (E_RNA)
where:
Base-Base interactions energy: -355.253
where: short stacking energy: -161.975
Base-Backbone interact. energy: -0.224
local terms energy: -186.224176
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -31.172
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -56.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -530.102012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.102012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.102012 (E_RNA)
where:
Base-Base interactions energy: -353.869
where: short stacking energy: -157.501
Base-Backbone interact. energy: -0.150
local terms energy: -176.082595
where:
bonds (distance) C4'-P energy: -36.635
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -51.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -501.324549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.324549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.324549 (E_RNA)
where:
Base-Base interactions energy: -323.297
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.795
local terms energy: -177.232639
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -37.218
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -50.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -423.920195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.920195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.920195 (E_RNA)
where:
Base-Base interactions energy: -270.848
where: short stacking energy: -128.737
Base-Backbone interact. energy: -0.659
local terms energy: -152.412468
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -338.254674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.254674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.254674 (E_RNA)
where:
Base-Base interactions energy: -188.406
where: short stacking energy: -106.106
Base-Backbone interact. energy: -0.127
local terms energy: -149.721464
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -325.502740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.502740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.502740 (E_RNA)
where:
Base-Base interactions energy: -179.328
where: short stacking energy: -87.462
Base-Backbone interact. energy: -0.317
local terms energy: -145.857565
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -304.641563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.641563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.641563 (E_RNA)
where:
Base-Base interactions energy: -176.945
where: short stacking energy: -94.262
Base-Backbone interact. energy: 0.563
local terms energy: -128.259279
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -222.955516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.955516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.955516 (E_RNA)
where:
Base-Base interactions energy: -110.068
where: short stacking energy: -66.518
Base-Backbone interact. energy: -1.378
local terms energy: -111.509563
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -152.845648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.845648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.845648 (E_RNA)
where:
Base-Base interactions energy: -42.398
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.815
local terms energy: -109.632358
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: 4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -549.727635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.727635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.727635 (E_RNA)
where:
Base-Base interactions energy: -358.223
where: short stacking energy: -170.556
Base-Backbone interact. energy: 0.070
local terms energy: -191.575136
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -55.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -568.554059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.554059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.554059 (E_RNA)
where:
Base-Base interactions energy: -381.239
where: short stacking energy: -189.422
Base-Backbone interact. energy: -0.007
local terms energy: -187.308099
where:
bonds (distance) C4'-P energy: -33.972
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -61.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -514.829780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.829780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.829780 (E_RNA)
where:
Base-Base interactions energy: -340.404
where: short stacking energy: -141.948
Base-Backbone interact. energy: -0.250
local terms energy: -174.176011
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -39.390
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -503.246905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.246905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.246905 (E_RNA)
where:
Base-Base interactions energy: -325.525
where: short stacking energy: -142.424
Base-Backbone interact. energy: 1.537
local terms energy: -179.258672
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -458.340933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.340933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.340933 (E_RNA)
where:
Base-Base interactions energy: -297.647
where: short stacking energy: -135.980
Base-Backbone interact. energy: -1.169
local terms energy: -159.524873
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -39.202
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -340.619953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.619953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.619953 (E_RNA)
where:
Base-Base interactions energy: -194.786
where: short stacking energy: -107.367
Base-Backbone interact. energy: -0.124
local terms energy: -145.710029
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -319.742123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.742123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.742123 (E_RNA)
where:
Base-Base interactions energy: -174.403
where: short stacking energy: -92.261
Base-Backbone interact. energy: -0.184
local terms energy: -145.155342
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -326.270583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.270583 (E_RNA)
where:
Base-Base interactions energy: -172.570
where: short stacking energy: -99.620
Base-Backbone interact. energy: 0.027
local terms energy: -153.727601
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -284.760416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.760416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.760416 (E_RNA)
where:
Base-Base interactions energy: -174.483
where: short stacking energy: -85.055
Base-Backbone interact. energy: -0.301
local terms energy: -109.976407
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -158.231247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.231247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.231247 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -50.336
Base-Backbone interact. energy: 0.341
local terms energy: -108.236120
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -552.454623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.454623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.454623 (E_RNA)
where:
Base-Base interactions energy: -366.353
where: short stacking energy: -175.527
Base-Backbone interact. energy: -0.884
local terms energy: -185.217171
where:
bonds (distance) C4'-P energy: -38.159
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -51.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -571.888298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.888298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.888298 (E_RNA)
where:
Base-Base interactions energy: -373.744
where: short stacking energy: -185.300
Base-Backbone interact. energy: -0.016
local terms energy: -198.127960
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -60.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -506.987998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.987998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.987998 (E_RNA)
where:
Base-Base interactions energy: -335.651
where: short stacking energy: -159.235
Base-Backbone interact. energy: -0.203
local terms energy: -171.133891
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -490.450208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.450208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.450208 (E_RNA)
where:
Base-Base interactions energy: -316.151
where: short stacking energy: -149.761
Base-Backbone interact. energy: 0.107
local terms energy: -174.405869
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -38.713
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -455.241499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.241499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.241499 (E_RNA)
where:
Base-Base interactions energy: -298.561
where: short stacking energy: -138.582
Base-Backbone interact. energy: -0.931
local terms energy: -155.749109
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -36.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -367.387404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.387404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.387404 (E_RNA)
where:
Base-Base interactions energy: -213.115
where: short stacking energy: -119.915
Base-Backbone interact. energy: -0.181
local terms energy: -154.091003
where:
bonds (distance) C4'-P energy: -37.597
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -329.855669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.855669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.855669 (E_RNA)
where:
Base-Base interactions energy: -195.215
where: short stacking energy: -105.275
Base-Backbone interact. energy: 0.035
local terms energy: -134.675422
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -306.055428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.055428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.055428 (E_RNA)
where:
Base-Base interactions energy: -189.653
where: short stacking energy: -94.429
Base-Backbone interact. energy: 0.069
local terms energy: -116.471219
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -308.358733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.358733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.358733 (E_RNA)
where:
Base-Base interactions energy: -182.064
where: short stacking energy: -78.620
Base-Backbone interact. energy: -0.647
local terms energy: -125.647837
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -152.166981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.166981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.166981 (E_RNA)
where:
Base-Base interactions energy: -55.190
where: short stacking energy: -52.887
Base-Backbone interact. energy: -1.565
local terms energy: -95.412409
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: 3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -575.674601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.674601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.674601 (E_RNA)
where:
Base-Base interactions energy: -388.351
where: short stacking energy: -182.147
Base-Backbone interact. energy: -0.161
local terms energy: -187.162083
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -37.958
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -57.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -543.647241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.647241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.647241 (E_RNA)
where:
Base-Base interactions energy: -357.618
where: short stacking energy: -147.615
Base-Backbone interact. energy: 0.333
local terms energy: -186.362710
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -38.214
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -44.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -507.700167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.700167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.700167 (E_RNA)
where:
Base-Base interactions energy: -326.571
where: short stacking energy: -171.547
Base-Backbone interact. energy: 0.060
local terms energy: -181.189612
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -50.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -499.203320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.203320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.203320 (E_RNA)
where:
Base-Base interactions energy: -324.404
where: short stacking energy: -142.390
Base-Backbone interact. energy: 0.012
local terms energy: -174.810569
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -434.082167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.082167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.082167 (E_RNA)
where:
Base-Base interactions energy: -283.280
where: short stacking energy: -118.899
Base-Backbone interact. energy: 1.787
local terms energy: -152.588616
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -414.030365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.030365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.030365 (E_RNA)
where:
Base-Base interactions energy: -260.985
where: short stacking energy: -137.558
Base-Backbone interact. energy: -0.172
local terms energy: -152.873349
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -39.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -336.821000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.821000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.821000 (E_RNA)
where:
Base-Base interactions energy: -191.743
where: short stacking energy: -96.930
Base-Backbone interact. energy: -0.379
local terms energy: -144.699258
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -314.189398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.189398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.189398 (E_RNA)
where:
Base-Base interactions energy: -192.066
where: short stacking energy: -100.897
Base-Backbone interact. energy: 1.584
local terms energy: -123.707579
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -164.895656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.895656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.895656 (E_RNA)
where:
Base-Base interactions energy: -76.206
where: short stacking energy: -55.266
Base-Backbone interact. energy: -0.950
local terms energy: -87.740128
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -291.075134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.075134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.075134 (E_RNA)
where:
Base-Base interactions energy: -168.844
where: short stacking energy: -83.075
Base-Backbone interact. energy: -0.379
local terms energy: -121.852807
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -568.852119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.852119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.852119 (E_RNA)
where:
Base-Base interactions energy: -380.096
where: short stacking energy: -178.533
Base-Backbone interact. energy: -0.159
local terms energy: -188.596320
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -38.054
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -49.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -546.714296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.714296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.714296 (E_RNA)
where:
Base-Base interactions energy: -357.097
where: short stacking energy: -170.545
Base-Backbone interact. energy: 0.040
local terms energy: -189.656776
where:
bonds (distance) C4'-P energy: -39.473
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -52.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -517.949797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.949797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.949797 (E_RNA)
where:
Base-Base interactions energy: -357.679
where: short stacking energy: -151.033
Base-Backbone interact. energy: -0.277
local terms energy: -159.993333
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -37.068
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -469.347425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.347425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.347425 (E_RNA)
where:
Base-Base interactions energy: -308.916
where: short stacking energy: -156.949
Base-Backbone interact. energy: -0.386
local terms energy: -160.044645
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -47.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -441.570558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.570558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.570558 (E_RNA)
where:
Base-Base interactions energy: -297.399
where: short stacking energy: -133.862
Base-Backbone interact. energy: 0.268
local terms energy: -144.440130
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -415.685203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.685203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.685203 (E_RNA)
where:
Base-Base interactions energy: -253.425
where: short stacking energy: -135.608
Base-Backbone interact. energy: -0.006
local terms energy: -162.253743
where:
bonds (distance) C4'-P energy: -36.500
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -31.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -328.997035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.997035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.997035 (E_RNA)
where:
Base-Base interactions energy: -197.250
where: short stacking energy: -93.826
Base-Backbone interact. energy: -0.423
local terms energy: -131.324049
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -310.842054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.842054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.842054 (E_RNA)
where:
Base-Base interactions energy: -195.004
where: short stacking energy: -102.078
Base-Backbone interact. energy: -0.305
local terms energy: -115.532883
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -165.855900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.855900 (E_RNA)
where:
Base-Base interactions energy: -54.819
where: short stacking energy: -50.470
Base-Backbone interact. energy: -0.875
local terms energy: -110.161449
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -269.231129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.231129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.231129 (E_RNA)
where:
Base-Base interactions energy: -159.298
where: short stacking energy: -90.304
Base-Backbone interact. energy: -0.087
local terms energy: -109.846488
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -572.116219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.116219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.116219 (E_RNA)
where:
Base-Base interactions energy: -373.439
where: short stacking energy: -186.255
Base-Backbone interact. energy: -0.016
local terms energy: -198.660436
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -41.756
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -58.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -540.731708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.731708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.731708 (E_RNA)
where:
Base-Base interactions energy: -360.529
where: short stacking energy: -169.754
Base-Backbone interact. energy: -0.138
local terms energy: -180.064833
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -30.247
tors. eta vs tors. theta energy: -51.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -483.458831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.458831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.458831 (E_RNA)
where:
Base-Base interactions energy: -316.349
where: short stacking energy: -139.883
Base-Backbone interact. energy: -0.449
local terms energy: -166.660768
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -43.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -492.117318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.117318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.117318 (E_RNA)
where:
Base-Base interactions energy: -329.412
where: short stacking energy: -145.066
Base-Backbone interact. energy: 0.406
local terms energy: -163.110843
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -427.378567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.378567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.378567 (E_RNA)
where:
Base-Base interactions energy: -258.596
where: short stacking energy: -126.020
Base-Backbone interact. energy: -0.194
local terms energy: -168.587969
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -438.318074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.318074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.318074 (E_RNA)
where:
Base-Base interactions energy: -291.856
where: short stacking energy: -129.379
Base-Backbone interact. energy: 0.836
local terms energy: -147.298092
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -320.127197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.127197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.127197 (E_RNA)
where:
Base-Base interactions energy: -195.381
where: short stacking energy: -90.847
Base-Backbone interact. energy: -0.696
local terms energy: -124.049798
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -307.521297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.521297 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.799
local terms energy: -145.808910
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -33.274
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -299.700198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.700198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.700198 (E_RNA)
where:
Base-Base interactions energy: -169.493
where: short stacking energy: -91.299
Base-Backbone interact. energy: -1.068
local terms energy: -129.138805
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -164.849531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.849531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.849531 (E_RNA)
where:
Base-Base interactions energy: -65.270
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.150
local terms energy: -99.428719
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -582.978520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.978520 (E_RNA)
where:
Base-Base interactions energy: -385.816
where: short stacking energy: -189.088
Base-Backbone interact. energy: -0.669
local terms energy: -196.493417
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -58.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -546.143254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.143254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.143254 (E_RNA)
where:
Base-Base interactions energy: -348.591
where: short stacking energy: -161.917
Base-Backbone interact. energy: -0.889
local terms energy: -196.663495
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: -56.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -473.479229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.479229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.479229 (E_RNA)
where:
Base-Base interactions energy: -310.111
where: short stacking energy: -158.521
Base-Backbone interact. energy: -0.392
local terms energy: -162.976608
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -40.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -489.826977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.826977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.826977 (E_RNA)
where:
Base-Base interactions energy: -323.791
where: short stacking energy: -152.309
Base-Backbone interact. energy: 0.620
local terms energy: -166.656028
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -46.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -431.094795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.094795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.094795 (E_RNA)
where:
Base-Base interactions energy: -279.935
where: short stacking energy: -129.765
Base-Backbone interact. energy: -0.066
local terms energy: -151.093858
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -34.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -420.743087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.743087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.743087 (E_RNA)
where:
Base-Base interactions energy: -268.378
where: short stacking energy: -130.105
Base-Backbone interact. energy: -0.215
local terms energy: -152.150343
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -36.417
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -30.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -340.789679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.789679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.789679 (E_RNA)
where:
Base-Base interactions energy: -202.044
where: short stacking energy: -98.123
Base-Backbone interact. energy: 3.283
local terms energy: -142.029457
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -320.391979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.391979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.391979 (E_RNA)
where:
Base-Base interactions energy: -197.209
where: short stacking energy: -95.858
Base-Backbone interact. energy: 1.295
local terms energy: -124.477631
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -28.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -310.199290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.199290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.199290 (E_RNA)
where:
Base-Base interactions energy: -188.788
where: short stacking energy: -98.306
Base-Backbone interact. energy: -1.000
local terms energy: -120.411371
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -30.870
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -147.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.288366 (E_RNA)
where:
Base-Base interactions energy: -60.372
where: short stacking energy: -51.512
Base-Backbone interact. energy: 0.157
local terms energy: -87.073193
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -586.429685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.429685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.429685 (E_RNA)
where:
Base-Base interactions energy: -387.821
where: short stacking energy: -198.492
Base-Backbone interact. energy: -0.388
local terms energy: -198.221208
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -56.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -538.349781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.349781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.349781 (E_RNA)
where:
Base-Base interactions energy: -350.572
where: short stacking energy: -161.363
Base-Backbone interact. energy: -0.152
local terms energy: -187.626051
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -41.012
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -48.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -500.010278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.010278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.010278 (E_RNA)
where:
Base-Base interactions energy: -326.230
where: short stacking energy: -152.848
Base-Backbone interact. energy: -0.432
local terms energy: -173.348785
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -38.812
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -42.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -466.804116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.804116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.804116 (E_RNA)
where:
Base-Base interactions energy: -303.862
where: short stacking energy: -135.782
Base-Backbone interact. energy: -0.278
local terms energy: -162.664142
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -41.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -413.514508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.514508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.514508 (E_RNA)
where:
Base-Base interactions energy: -255.076
where: short stacking energy: -116.008
Base-Backbone interact. energy: 0.526
local terms energy: -158.964891
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -437.228214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.228214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.228214 (E_RNA)
where:
Base-Base interactions energy: -274.879
where: short stacking energy: -132.111
Base-Backbone interact. energy: -0.104
local terms energy: -162.245503
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -328.505148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.505148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.505148 (E_RNA)
where:
Base-Base interactions energy: -213.013
where: short stacking energy: -106.786
Base-Backbone interact. energy: 0.854
local terms energy: -116.345754
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -302.811234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.811234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.811234 (E_RNA)
where:
Base-Base interactions energy: -176.934
where: short stacking energy: -91.384
Base-Backbone interact. energy: -1.091
local terms energy: -124.785395
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -14.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -290.873693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.873693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.873693 (E_RNA)
where:
Base-Base interactions energy: -164.868
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.465
local terms energy: -125.540684
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -157.315438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.315438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.315438 (E_RNA)
where:
Base-Base interactions energy: -56.177
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.938
local terms energy: -100.200525
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -584.136376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.136376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.136376 (E_RNA)
where:
Base-Base interactions energy: -386.892
where: short stacking energy: -182.738
Base-Backbone interact. energy: 0.009
local terms energy: -197.253861
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -41.483
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -59.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -524.071151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.071151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.071151 (E_RNA)
where:
Base-Base interactions energy: -337.362
where: short stacking energy: -169.510
Base-Backbone interact. energy: 0.348
local terms energy: -187.056786
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -53.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -511.011571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.011571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.011571 (E_RNA)
where:
Base-Base interactions energy: -331.032
where: short stacking energy: -159.743
Base-Backbone interact. energy: 1.333
local terms energy: -181.312408
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -53.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -508.840956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.840956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.840956 (E_RNA)
where:
Base-Base interactions energy: -339.142
where: short stacking energy: -156.113
Base-Backbone interact. energy: -0.175
local terms energy: -169.524028
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -45.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -433.845399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.845399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.845399 (E_RNA)
where:
Base-Base interactions energy: -277.464
where: short stacking energy: -136.669
Base-Backbone interact. energy: 0.398
local terms energy: -156.779494
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -38.647
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -38.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -410.908417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.908417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.908417 (E_RNA)
where:
Base-Base interactions energy: -249.212
where: short stacking energy: -118.278
Base-Backbone interact. energy: -0.092
local terms energy: -161.604017
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -34.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -331.805448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.805448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.805448 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.683
local terms energy: -127.969741
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -305.772196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.772196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.772196 (E_RNA)
where:
Base-Base interactions energy: -170.320
where: short stacking energy: -87.478
Base-Backbone interact. energy: -0.339
local terms energy: -135.113349
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -37.457
flat angles C4'-P-C4' energy: -27.821
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -268.434143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.434143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.434143 (E_RNA)
where:
Base-Base interactions energy: -140.342
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.640
local terms energy: -127.452973
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -171.208818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.208818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.208818 (E_RNA)
where:
Base-Base interactions energy: -68.252
where: short stacking energy: -51.103
Base-Backbone interact. energy: -0.183
local terms energy: -102.773658
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: 3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -571.060402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.060402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.060402 (E_RNA)
where:
Base-Base interactions energy: -376.658
where: short stacking energy: -191.274
Base-Backbone interact. energy: -0.014
local terms energy: -194.388328
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -60.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -532.464235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.464235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.464235 (E_RNA)
where:
Base-Base interactions energy: -342.096
where: short stacking energy: -164.089
Base-Backbone interact. energy: -0.154
local terms energy: -190.214610
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -52.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -518.634947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.634947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.634947 (E_RNA)
where:
Base-Base interactions energy: -345.565
where: short stacking energy: -158.347
Base-Backbone interact. energy: -0.601
local terms energy: -172.469177
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -491.145942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.145942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.145942 (E_RNA)
where:
Base-Base interactions energy: -315.654
where: short stacking energy: -130.152
Base-Backbone interact. energy: -0.335
local terms energy: -175.156971
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -40.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -427.654410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.654410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.654410 (E_RNA)
where:
Base-Base interactions energy: -281.162
where: short stacking energy: -124.823
Base-Backbone interact. energy: -1.023
local terms energy: -145.468889
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -36.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -430.122488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.122488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.122488 (E_RNA)
where:
Base-Base interactions energy: -263.441
where: short stacking energy: -138.514
Base-Backbone interact. energy: 0.020
local terms energy: -166.701326
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -37.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -332.860095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.860095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.860095 (E_RNA)
where:
Base-Base interactions energy: -183.234
where: short stacking energy: -90.325
Base-Backbone interact. energy: -2.331
local terms energy: -147.294593
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -35.546
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -293.257204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.257204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.257204 (E_RNA)
where:
Base-Base interactions energy: -163.741
where: short stacking energy: -76.775
Base-Backbone interact. energy: -0.035
local terms energy: -129.481141
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -291.807539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.807539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.807539 (E_RNA)
where:
Base-Base interactions energy: -178.174
where: short stacking energy: -92.044
Base-Backbone interact. energy: -1.127
local terms energy: -112.505785
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -153.520812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.520812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.520812 (E_RNA)
where:
Base-Base interactions energy: -49.028
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.506
local terms energy: -103.987132
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: 4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -583.406403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.406403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.406403 (E_RNA)
where:
Base-Base interactions energy: -377.680
where: short stacking energy: -182.175
Base-Backbone interact. energy: -0.067
local terms energy: -205.660042
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -59.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -533.460394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.460394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.460394 (E_RNA)
where:
Base-Base interactions energy: -347.646
where: short stacking energy: -162.375
Base-Backbone interact. energy: -1.113
local terms energy: -184.701016
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -36.394
flat angles C4'-P-C4' energy: -38.278
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -51.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -511.642140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.642140 (E_RNA)
where:
Base-Base interactions energy: -346.791
where: short stacking energy: -170.507
Base-Backbone interact. energy: -0.215
local terms energy: -164.635826
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -45.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -498.299606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.299606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.299606 (E_RNA)
where:
Base-Base interactions energy: -329.805
where: short stacking energy: -152.100
Base-Backbone interact. energy: -0.766
local terms energy: -167.728065
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -44.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -426.755162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.755162 (E_RNA)
where:
Base-Base interactions energy: -280.831
where: short stacking energy: -121.073
Base-Backbone interact. energy: 0.398
local terms energy: -146.322740
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -403.086796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.086796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.086796 (E_RNA)
where:
Base-Base interactions energy: -253.962
where: short stacking energy: -122.174
Base-Backbone interact. energy: -0.960
local terms energy: -148.164696
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -33.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -330.295234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.295234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.295234 (E_RNA)
where:
Base-Base interactions energy: -206.320
where: short stacking energy: -96.234
Base-Backbone interact. energy: -0.492
local terms energy: -123.483084
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -334.789401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.789401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.789401 (E_RNA)
where:
Base-Base interactions energy: -197.915
where: short stacking energy: -111.987
Base-Backbone interact. energy: 0.010
local terms energy: -136.884958
where:
bonds (distance) C4'-P energy: -29.015
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -36.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -309.353137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.353137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.353137 (E_RNA)
where:
Base-Base interactions energy: -183.428
where: short stacking energy: -91.289
Base-Backbone interact. energy: -0.147
local terms energy: -125.777543
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -33.694
flat angles C4'-P-C4' energy: -30.933
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -155.052195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.052195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.052195 (E_RNA)
where:
Base-Base interactions energy: -67.603
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.802
local terms energy: -86.646774
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -30.587
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -579.803878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.803878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.803878 (E_RNA)
where:
Base-Base interactions energy: -380.640
where: short stacking energy: -195.044
Base-Backbone interact. energy: -0.023
local terms energy: -199.140825
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -62.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -539.996242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.996242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.996242 (E_RNA)
where:
Base-Base interactions energy: -369.936
where: short stacking energy: -171.322
Base-Backbone interact. energy: 0.007
local terms energy: -170.067478
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -51.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -508.559681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.559681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.559681 (E_RNA)
where:
Base-Base interactions energy: -329.319
where: short stacking energy: -160.389
Base-Backbone interact. energy: 2.328
local terms energy: -181.569148
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -51.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -503.116608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.116608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.116608 (E_RNA)
where:
Base-Base interactions energy: -320.776
where: short stacking energy: -146.973
Base-Backbone interact. energy: 0.638
local terms energy: -182.978509
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -35.168
flat angles C4'-P-C4' energy: -37.446
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -430.026597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.026597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.026597 (E_RNA)
where:
Base-Base interactions energy: -275.830
where: short stacking energy: -126.409
Base-Backbone interact. energy: -1.138
local terms energy: -153.058435
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -408.723849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.723849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.723849 (E_RNA)
where:
Base-Base interactions energy: -257.221
where: short stacking energy: -125.936
Base-Backbone interact. energy: -0.532
local terms energy: -150.971275
where:
bonds (distance) C4'-P energy: -31.619
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -346.384240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.384240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.384240 (E_RNA)
where:
Base-Base interactions energy: -193.632
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.533
local terms energy: -152.218298
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -39.097
flat angles C4'-P-C4' energy: -36.911
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -305.588681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.588681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.588681 (E_RNA)
where:
Base-Base interactions energy: -182.015
where: short stacking energy: -85.995
Base-Backbone interact. energy: 0.592
local terms energy: -124.165705
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -295.210013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.210013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.210013 (E_RNA)
where:
Base-Base interactions energy: -178.455
where: short stacking energy: -89.885
Base-Backbone interact. energy: 1.446
local terms energy: -118.200654
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -150.331725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.331725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.331725 (E_RNA)
where:
Base-Base interactions energy: -56.609
where: short stacking energy: -37.588
Base-Backbone interact. energy: -1.034
local terms energy: -92.688788
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -567.141123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.141123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.141123 (E_RNA)
where:
Base-Base interactions energy: -368.337
where: short stacking energy: -177.982
Base-Backbone interact. energy: -0.021
local terms energy: -198.783155
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -60.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -529.007642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.007642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.007642 (E_RNA)
where:
Base-Base interactions energy: -340.056
where: short stacking energy: -162.530
Base-Backbone interact. energy: -0.096
local terms energy: -188.855756
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -53.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -526.458206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.458206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.458206 (E_RNA)
where:
Base-Base interactions energy: -334.888
where: short stacking energy: -148.282
Base-Backbone interact. energy: -0.676
local terms energy: -190.894478
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -41.136
flat angles C4'-P-C4' energy: -41.402
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -51.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -514.391133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.391133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.391133 (E_RNA)
where:
Base-Base interactions energy: -333.585
where: short stacking energy: -159.021
Base-Backbone interact. energy: -0.005
local terms energy: -180.800390
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -50.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -432.855804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.855804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.855804 (E_RNA)
where:
Base-Base interactions energy: -281.501
where: short stacking energy: -130.960
Base-Backbone interact. energy: -0.396
local terms energy: -150.958864
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -31.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -446.783896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.783896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.783896 (E_RNA)
where:
Base-Base interactions energy: -274.807
where: short stacking energy: -137.534
Base-Backbone interact. energy: -0.554
local terms energy: -171.422619
where:
bonds (distance) C4'-P energy: -39.844
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -345.702654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.702654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.702654 (E_RNA)
where:
Base-Base interactions energy: -203.860
where: short stacking energy: -93.150
Base-Backbone interact. energy: 2.271
local terms energy: -144.114162
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -305.363836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.363836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.363836 (E_RNA)
where:
Base-Base interactions energy: -175.317
where: short stacking energy: -86.043
Base-Backbone interact. energy: 3.304
local terms energy: -133.351242
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -291.963694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.963694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.963694 (E_RNA)
where:
Base-Base interactions energy: -177.069
where: short stacking energy: -80.278
Base-Backbone interact. energy: 0.028
local terms energy: -114.922995
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -149.626988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.626988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.626988 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -46.121
Base-Backbone interact. energy: 0.665
local terms energy: -105.862575
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -582.739047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.739047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.739047 (E_RNA)
where:
Base-Base interactions energy: -385.066
where: short stacking energy: -186.546
Base-Backbone interact. energy: -0.114
local terms energy: -197.558700
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -57.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -524.853015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.853015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.853015 (E_RNA)
where:
Base-Base interactions energy: -357.115
where: short stacking energy: -166.053
Base-Backbone interact. energy: -0.316
local terms energy: -167.421819
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -40.678
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -49.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -512.119509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.119509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.119509 (E_RNA)
where:
Base-Base interactions energy: -344.634
where: short stacking energy: -155.217
Base-Backbone interact. energy: -0.735
local terms energy: -166.750439
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -33.539
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -487.800719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.800719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.800719 (E_RNA)
where:
Base-Base interactions energy: -326.573
where: short stacking energy: -152.835
Base-Backbone interact. energy: -0.341
local terms energy: -160.886562
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -31.039
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -434.184428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.184428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.184428 (E_RNA)
where:
Base-Base interactions energy: -282.811
where: short stacking energy: -118.078
Base-Backbone interact. energy: 1.610
local terms energy: -152.983973
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -420.486213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.486213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.486213 (E_RNA)
where:
Base-Base interactions energy: -273.062
where: short stacking energy: -137.146
Base-Backbone interact. energy: 0.669
local terms energy: -148.093539
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -36.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -322.991571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.991571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.991571 (E_RNA)
where:
Base-Base interactions energy: -194.304
where: short stacking energy: -93.255
Base-Backbone interact. energy: 2.804
local terms energy: -131.490932
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -303.959847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.959847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.959847 (E_RNA)
where:
Base-Base interactions energy: -182.717
where: short stacking energy: -91.189
Base-Backbone interact. energy: 1.220
local terms energy: -122.462748
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -281.597125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.597125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.597125 (E_RNA)
where:
Base-Base interactions energy: -178.727
where: short stacking energy: -89.417
Base-Backbone interact. energy: -1.014
local terms energy: -101.856194
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -159.582183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.582183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.582183 (E_RNA)
where:
Base-Base interactions energy: -59.975
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.303
local terms energy: -99.304769
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -575.026958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.026958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.026958 (E_RNA)
where:
Base-Base interactions energy: -375.018
where: short stacking energy: -170.958
Base-Backbone interact. energy: -0.075
local terms energy: -199.933380
where:
bonds (distance) C4'-P energy: -39.566
bonds (distance) P-C4' energy: -38.657
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -59.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -534.264754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.264754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.264754 (E_RNA)
where:
Base-Base interactions energy: -362.797
where: short stacking energy: -160.754
Base-Backbone interact. energy: -0.108
local terms energy: -171.360103
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -476.269208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.269208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.269208 (E_RNA)
where:
Base-Base interactions energy: -305.632
where: short stacking energy: -142.579
Base-Backbone interact. energy: -0.098
local terms energy: -170.538516
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -502.975214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.975214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.975214 (E_RNA)
where:
Base-Base interactions energy: -339.588
where: short stacking energy: -148.563
Base-Backbone interact. energy: -0.260
local terms energy: -163.127109
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -46.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -447.037946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.037946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.037946 (E_RNA)
where:
Base-Base interactions energy: -288.100
where: short stacking energy: -126.602
Base-Backbone interact. energy: 0.877
local terms energy: -159.815053
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -445.919540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.919540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.919540 (E_RNA)
where:
Base-Base interactions energy: -283.551
where: short stacking energy: -133.403
Base-Backbone interact. energy: 0.785
local terms energy: -163.154005
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -336.273155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.273155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.273155 (E_RNA)
where:
Base-Base interactions energy: -186.069
where: short stacking energy: -92.104
Base-Backbone interact. energy: 0.546
local terms energy: -150.749548
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -313.378917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.378917 (E_RNA)
where:
Base-Base interactions energy: -188.966
where: short stacking energy: -99.632
Base-Backbone interact. energy: 0.451
local terms energy: -124.863903
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -292.262447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.262447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.262447 (E_RNA)
where:
Base-Base interactions energy: -178.354
where: short stacking energy: -80.018
Base-Backbone interact. energy: -0.320
local terms energy: -113.588987
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -163.051844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.051844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.051844 (E_RNA)
where:
Base-Base interactions energy: -78.605
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.775
local terms energy: -83.671582
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: 10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -590.033088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.033088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.033088 (E_RNA)
where:
Base-Base interactions energy: -376.017
where: short stacking energy: -191.185
Base-Backbone interact. energy: -0.607
local terms energy: -213.408686
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -64.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -550.729199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.729199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.729199 (E_RNA)
where:
Base-Base interactions energy: -362.593
where: short stacking energy: -170.495
Base-Backbone interact. energy: -0.149
local terms energy: -187.987470
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -52.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -523.392119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.392119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.392119 (E_RNA)
where:
Base-Base interactions energy: -354.619
where: short stacking energy: -158.896
Base-Backbone interact. energy: -0.022
local terms energy: -168.750658
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -469.879608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.879608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.879608 (E_RNA)
where:
Base-Base interactions energy: -300.969
where: short stacking energy: -146.818
Base-Backbone interact. energy: -0.214
local terms energy: -168.696488
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -47.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -436.020239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.020239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.020239 (E_RNA)
where:
Base-Base interactions energy: -273.984
where: short stacking energy: -127.162
Base-Backbone interact. energy: -0.433
local terms energy: -161.603560
where:
bonds (distance) C4'-P energy: -30.364
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -36.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -432.462147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.462147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.462147 (E_RNA)
where:
Base-Base interactions energy: -272.754
where: short stacking energy: -135.103
Base-Backbone interact. energy: 0.053
local terms energy: -159.762071
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -37.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -312.455527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.455527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.455527 (E_RNA)
where:
Base-Base interactions energy: -193.374
where: short stacking energy: -85.406
Base-Backbone interact. energy: 1.119
local terms energy: -120.200542
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -290.865741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.865741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.865741 (E_RNA)
where:
Base-Base interactions energy: -167.865
where: short stacking energy: -85.931
Base-Backbone interact. energy: -0.383
local terms energy: -122.616997
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -272.293758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.293758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.293758 (E_RNA)
where:
Base-Base interactions energy: -158.616
where: short stacking energy: -92.285
Base-Backbone interact. energy: 1.239
local terms energy: -114.916384
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -177.211133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.211133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.211133 (E_RNA)
where:
Base-Base interactions energy: -65.739
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.386
local terms energy: -111.086128
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -580.528501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.528501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.528501 (E_RNA)
where:
Base-Base interactions energy: -387.435
where: short stacking energy: -187.703
Base-Backbone interact. energy: -0.066
local terms energy: -193.027482
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -61.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -534.827106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.827106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.827106 (E_RNA)
where:
Base-Base interactions energy: -357.675
where: short stacking energy: -167.772
Base-Backbone interact. energy: 2.432
local terms energy: -179.584627
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -39.404
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -44.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -510.264942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.264942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.264942 (E_RNA)
where:
Base-Base interactions energy: -344.007
where: short stacking energy: -144.043
Base-Backbone interact. energy: 0.503
local terms energy: -166.760001
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -46.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -476.941526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.941526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.941526 (E_RNA)
where:
Base-Base interactions energy: -317.729
where: short stacking energy: -136.286
Base-Backbone interact. energy: -0.692
local terms energy: -158.520568
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -416.760782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.760782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.760782 (E_RNA)
where:
Base-Base interactions energy: -272.150
where: short stacking energy: -115.753
Base-Backbone interact. energy: -0.485
local terms energy: -144.126215
where:
bonds (distance) C4'-P energy: -27.023
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -431.857375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.857375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.857375 (E_RNA)
where:
Base-Base interactions energy: -264.597
where: short stacking energy: -134.418
Base-Backbone interact. energy: 0.842
local terms energy: -168.101799
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -45.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -322.756598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.756598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.756598 (E_RNA)
where:
Base-Base interactions energy: -200.812
where: short stacking energy: -101.351
Base-Backbone interact. energy: 0.107
local terms energy: -122.051934
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -296.449074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.449074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.449074 (E_RNA)
where:
Base-Base interactions energy: -161.507
where: short stacking energy: -84.559
Base-Backbone interact. energy: -0.503
local terms energy: -134.438380
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -286.422281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.422281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.422281 (E_RNA)
where:
Base-Base interactions energy: -157.742
where: short stacking energy: -79.755
Base-Backbone interact. energy: -0.411
local terms energy: -128.268997
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -165.282563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.282563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.282563 (E_RNA)
where:
Base-Base interactions energy: -56.605
where: short stacking energy: -35.922
Base-Backbone interact. energy: -1.670
local terms energy: -107.007223
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -577.140262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.140262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.140262 (E_RNA)
where:
Base-Base interactions energy: -378.440
where: short stacking energy: -194.446
Base-Backbone interact. energy: -0.004
local terms energy: -198.696374
where:
bonds (distance) C4'-P energy: -36.051
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -57.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -516.513263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.513263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.513263 (E_RNA)
where:
Base-Base interactions energy: -344.442
where: short stacking energy: -143.530
Base-Backbone interact. energy: -0.139
local terms energy: -171.932898
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -38.352
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -42.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -528.685881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.685881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.685881 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -171.868
Base-Backbone interact. energy: -0.042
local terms energy: -171.273757
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -53.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -494.201759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.201759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.201759 (E_RNA)
where:
Base-Base interactions energy: -330.536
where: short stacking energy: -142.871
Base-Backbone interact. energy: -0.728
local terms energy: -162.937528
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -39.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -413.373801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.373801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.373801 (E_RNA)
where:
Base-Base interactions energy: -263.568
where: short stacking energy: -120.449
Base-Backbone interact. energy: -0.224
local terms energy: -149.581587
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -31.704
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -28.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -417.718022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.718022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.718022 (E_RNA)
where:
Base-Base interactions energy: -269.957
where: short stacking energy: -114.608
Base-Backbone interact. energy: 2.156
local terms energy: -149.916848
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -332.095201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.095201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.095201 (E_RNA)
where:
Base-Base interactions energy: -191.788
where: short stacking energy: -97.220
Base-Backbone interact. energy: -0.867
local terms energy: -139.440061
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -306.315427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.315427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.315427 (E_RNA)
where:
Base-Base interactions energy: -183.035
where: short stacking energy: -85.215
Base-Backbone interact. energy: 0.165
local terms energy: -123.445644
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -291.590970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.590970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.590970 (E_RNA)
where:
Base-Base interactions energy: -173.518
where: short stacking energy: -93.168
Base-Backbone interact. energy: -1.351
local terms energy: -116.722012
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -206.641955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.641955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.641955 (E_RNA)
where:
Base-Base interactions energy: -116.286
where: short stacking energy: -58.406
Base-Backbone interact. energy: 0.467
local terms energy: -90.822467
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -579.320233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.320233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.320233 (E_RNA)
where:
Base-Base interactions energy: -379.581
where: short stacking energy: -187.080
Base-Backbone interact. energy: -0.633
local terms energy: -199.106097
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -58.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -529.501710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.501710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.501710 (E_RNA)
where:
Base-Base interactions energy: -355.721
where: short stacking energy: -170.968
Base-Backbone interact. energy: 0.683
local terms energy: -174.464109
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -524.890256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.890256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.890256 (E_RNA)
where:
Base-Base interactions energy: -341.876
where: short stacking energy: -162.858
Base-Backbone interact. energy: -0.263
local terms energy: -182.751667
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -470.692705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.692705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.692705 (E_RNA)
where:
Base-Base interactions energy: -301.451
where: short stacking energy: -146.122
Base-Backbone interact. energy: 2.725
local terms energy: -171.966480
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -36.800
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -47.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -415.168468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.168468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.168468 (E_RNA)
where:
Base-Base interactions energy: -268.823
where: short stacking energy: -125.130
Base-Backbone interact. energy: -0.506
local terms energy: -145.839038
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -410.171594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.171594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.171594 (E_RNA)
where:
Base-Base interactions energy: -264.538
where: short stacking energy: -111.028
Base-Backbone interact. energy: -2.059
local terms energy: -143.574317
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -338.887863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.887863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.887863 (E_RNA)
where:
Base-Base interactions energy: -197.440
where: short stacking energy: -98.675
Base-Backbone interact. energy: 2.094
local terms energy: -143.541284
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -30.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -308.991351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.991351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.991351 (E_RNA)
where:
Base-Base interactions energy: -184.928
where: short stacking energy: -78.204
Base-Backbone interact. energy: 0.048
local terms energy: -124.111205
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -31.005
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -249.152337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.152337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.152337 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.275
local terms energy: -117.819321
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -231.646461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.646461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.646461 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.070
local terms energy: -103.866989
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -589.454202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.454202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.454202 (E_RNA)
where:
Base-Base interactions energy: -387.187
where: short stacking energy: -195.893
Base-Backbone interact. energy: -0.006
local terms energy: -202.261353
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -41.995
flat angles C4'-P-C4' energy: -42.211
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -58.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -532.943254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.943254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.943254 (E_RNA)
where:
Base-Base interactions energy: -358.923
where: short stacking energy: -157.712
Base-Backbone interact. energy: 1.089
local terms energy: -175.109730
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -36.635
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -52.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -528.377124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.377124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.377124 (E_RNA)
where:
Base-Base interactions energy: -353.937
where: short stacking energy: -169.989
Base-Backbone interact. energy: -0.568
local terms energy: -173.872189
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -34.086
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -46.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -473.464199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.464199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.464199 (E_RNA)
where:
Base-Base interactions energy: -309.182
where: short stacking energy: -129.099
Base-Backbone interact. energy: -0.388
local terms energy: -163.893742
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -409.012767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.012767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.012767 (E_RNA)
where:
Base-Base interactions energy: -261.443
where: short stacking energy: -121.761
Base-Backbone interact. energy: -0.170
local terms energy: -147.399415
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -436.572270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.572270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.572270 (E_RNA)
where:
Base-Base interactions energy: -271.768
where: short stacking energy: -146.427
Base-Backbone interact. energy: -0.080
local terms energy: -164.723432
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -39.460
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -42.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -335.836517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.836517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.836517 (E_RNA)
where:
Base-Base interactions energy: -193.920
where: short stacking energy: -89.380
Base-Backbone interact. energy: -0.418
local terms energy: -141.498798
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -314.296797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.296797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.296797 (E_RNA)
where:
Base-Base interactions energy: -187.675
where: short stacking energy: -105.106
Base-Backbone interact. energy: 0.432
local terms energy: -127.053601
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -264.203306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.203306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.203306 (E_RNA)
where:
Base-Base interactions energy: -149.952
where: short stacking energy: -74.356
Base-Backbone interact. energy: -0.796
local terms energy: -113.454985
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -219.626528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.626528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626528 (E_RNA)
where:
Base-Base interactions energy: -111.142
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.538
local terms energy: -107.947057
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -575.488888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.488888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.488888 (E_RNA)
where:
Base-Base interactions energy: -374.877
where: short stacking energy: -182.734
Base-Backbone interact. energy: -0.164
local terms energy: -200.447576
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -59.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -523.798157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.798157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.798157 (E_RNA)
where:
Base-Base interactions energy: -352.160
where: short stacking energy: -164.605
Base-Backbone interact. energy: 0.251
local terms energy: -171.889157
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -49.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -521.828933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.828933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.828933 (E_RNA)
where:
Base-Base interactions energy: -349.939
where: short stacking energy: -154.785
Base-Backbone interact. energy: -0.461
local terms energy: -171.428187
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -488.965100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.965100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.965100 (E_RNA)
where:
Base-Base interactions energy: -328.686
where: short stacking energy: -145.693
Base-Backbone interact. energy: -0.454
local terms energy: -159.825043
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -34.701
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -44.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -414.600842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.600842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.600842 (E_RNA)
where:
Base-Base interactions energy: -258.510
where: short stacking energy: -119.865
Base-Backbone interact. energy: -1.136
local terms energy: -154.955317
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -434.110464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.110464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.110464 (E_RNA)
where:
Base-Base interactions energy: -282.340
where: short stacking energy: -130.572
Base-Backbone interact. energy: -0.109
local terms energy: -151.661462
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -39.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -328.903324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.903324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.903324 (E_RNA)
where:
Base-Base interactions energy: -191.734
where: short stacking energy: -101.441
Base-Backbone interact. energy: -0.232
local terms energy: -136.937854
where:
bonds (distance) C4'-P energy: -29.568
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -315.013045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.013045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.013045 (E_RNA)
where:
Base-Base interactions energy: -176.977
where: short stacking energy: -82.107
Base-Backbone interact. energy: -0.220
local terms energy: -137.816271
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -286.294923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.294923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.294923 (E_RNA)
where:
Base-Base interactions energy: -176.201
where: short stacking energy: -87.592
Base-Backbone interact. energy: 0.205
local terms energy: -110.298878
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -159.838115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.838115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.838115 (E_RNA)
where:
Base-Base interactions energy: -59.225
where: short stacking energy: -51.327
Base-Backbone interact. energy: -0.494
local terms energy: -100.118761
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: 10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -567.661086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.661086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.661086 (E_RNA)
where:
Base-Base interactions energy: -368.460
where: short stacking energy: -173.899
Base-Backbone interact. energy: -0.021
local terms energy: -199.179874
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -57.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -538.141663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.141663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.141663 (E_RNA)
where:
Base-Base interactions energy: -358.581
where: short stacking energy: -168.493
Base-Backbone interact. energy: -0.259
local terms energy: -179.301897
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -48.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -506.894269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.894269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.894269 (E_RNA)
where:
Base-Base interactions energy: -328.306
where: short stacking energy: -143.385
Base-Backbone interact. energy: -0.035
local terms energy: -178.553772
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -36.963
flat angles C4'-P-C4' energy: -38.881
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -45.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -473.985669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.985669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.985669 (E_RNA)
where:
Base-Base interactions energy: -303.029
where: short stacking energy: -134.913
Base-Backbone interact. energy: -0.321
local terms energy: -170.635785
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -486.298605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.298605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.298605 (E_RNA)
where:
Base-Base interactions energy: -305.849
where: short stacking energy: -150.900
Base-Backbone interact. energy: -0.161
local terms energy: -180.288569
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -45.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -416.968846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.968846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.968846 (E_RNA)
where:
Base-Base interactions energy: -256.435
where: short stacking energy: -127.522
Base-Backbone interact. energy: -0.512
local terms energy: -160.021256
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -37.993
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -34.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -336.753002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.753002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.753002 (E_RNA)
where:
Base-Base interactions energy: -206.957
where: short stacking energy: -94.163
Base-Backbone interact. energy: 0.655
local terms energy: -130.451288
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -31.769
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -306.105507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.105507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.105507 (E_RNA)
where:
Base-Base interactions energy: -166.348
where: short stacking energy: -77.079
Base-Backbone interact. energy: -0.319
local terms energy: -139.438345
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -301.777669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.777669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.777669 (E_RNA)
where:
Base-Base interactions energy: -187.320
where: short stacking energy: -83.983
Base-Backbone interact. energy: 4.320
local terms energy: -118.778120
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -150.546545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.546545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.546545 (E_RNA)
where:
Base-Base interactions energy: -51.781
where: short stacking energy: -48.175
Base-Backbone interact. energy: 1.512
local terms energy: -100.277487
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -584.567826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.567826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.567826 (E_RNA)
where:
Base-Base interactions energy: -384.411
where: short stacking energy: -201.314
Base-Backbone interact. energy: -0.075
local terms energy: -200.081747
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -63.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -519.295212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.295212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.295212 (E_RNA)
where:
Base-Base interactions energy: -331.643
where: short stacking energy: -151.646
Base-Backbone interact. energy: -0.665
local terms energy: -186.987761
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -50.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -500.617233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.617233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.617233 (E_RNA)
where:
Base-Base interactions energy: -331.845
where: short stacking energy: -165.251
Base-Backbone interact. energy: -0.778
local terms energy: -167.994507
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -45.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -484.456884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.456884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.456884 (E_RNA)
where:
Base-Base interactions energy: -321.422
where: short stacking energy: -160.482
Base-Backbone interact. energy: -0.157
local terms energy: -162.878283
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -39.933
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -484.152569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.152569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.152569 (E_RNA)
where:
Base-Base interactions energy: -329.984
where: short stacking energy: -143.477
Base-Backbone interact. energy: -0.367
local terms energy: -153.801245
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -45.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -425.095344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.095344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.095344 (E_RNA)
where:
Base-Base interactions energy: -275.517
where: short stacking energy: -116.957
Base-Backbone interact. energy: 6.779
local terms energy: -156.356745
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -322.410098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.410098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.410098 (E_RNA)
where:
Base-Base interactions energy: -193.708
where: short stacking energy: -103.178
Base-Backbone interact. energy: 2.533
local terms energy: -131.235230
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -324.375710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.375710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.375710 (E_RNA)
where:
Base-Base interactions energy: -188.024
where: short stacking energy: -95.330
Base-Backbone interact. energy: -0.821
local terms energy: -135.530085
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -309.227730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.227730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.227730 (E_RNA)
where:
Base-Base interactions energy: -189.752
where: short stacking energy: -90.749
Base-Backbone interact. energy: 0.015
local terms energy: -119.490252
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -141.794965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.794965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.794965 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.860
local terms energy: -97.935048
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -35.668
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: 9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -581.013523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.013523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.013523 (E_RNA)
where:
Base-Base interactions energy: -386.595
where: short stacking energy: -187.085
Base-Backbone interact. energy: -0.007
local terms energy: -194.411521
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -38.973
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -59.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -544.905751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.905751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.905751 (E_RNA)
where:
Base-Base interactions energy: -368.312
where: short stacking energy: -182.612
Base-Backbone interact. energy: -0.118
local terms energy: -176.475461
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -52.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -514.046235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.046235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.046235 (E_RNA)
where:
Base-Base interactions energy: -341.460
where: short stacking energy: -166.962
Base-Backbone interact. energy: 0.378
local terms energy: -172.964173
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -47.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -470.966470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.966470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.966470 (E_RNA)
where:
Base-Base interactions energy: -300.182
where: short stacking energy: -147.169
Base-Backbone interact. energy: 0.124
local terms energy: -170.908557
where:
bonds (distance) C4'-P energy: -33.160
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -41.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -477.161256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.161256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.161256 (E_RNA)
where:
Base-Base interactions energy: -313.914
where: short stacking energy: -157.404
Base-Backbone interact. energy: -2.184
local terms energy: -161.064046
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -416.494323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.494323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.494323 (E_RNA)
where:
Base-Base interactions energy: -271.406
where: short stacking energy: -117.234
Base-Backbone interact. energy: -0.756
local terms energy: -144.332358
where:
bonds (distance) C4'-P energy: -31.598
bonds (distance) P-C4' energy: -33.783
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -317.953042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.953042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.953042 (E_RNA)
where:
Base-Base interactions energy: -182.668
where: short stacking energy: -93.676
Base-Backbone interact. energy: 0.201
local terms energy: -135.486048
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -318.190238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.190238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.190238 (E_RNA)
where:
Base-Base interactions energy: -181.843
where: short stacking energy: -87.649
Base-Backbone interact. energy: -0.211
local terms energy: -136.135934
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -34.314
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -301.336638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.336638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.336638 (E_RNA)
where:
Base-Base interactions energy: -166.246
where: short stacking energy: -71.771
Base-Backbone interact. energy: 1.476
local terms energy: -136.566736
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -161.813940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.813940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.813940 (E_RNA)
where:
Base-Base interactions energy: -64.568
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.579
local terms energy: -96.666636
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -576.926727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.926727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.926727 (E_RNA)
where:
Base-Base interactions energy: -383.188
where: short stacking energy: -185.742
Base-Backbone interact. energy: -0.005
local terms energy: -193.733668
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -59.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -540.770088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.770088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.770088 (E_RNA)
where:
Base-Base interactions energy: -359.657
where: short stacking energy: -169.040
Base-Backbone interact. energy: 1.100
local terms energy: -182.213533
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -48.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -497.442039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.442039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.442039 (E_RNA)
where:
Base-Base interactions energy: -329.135
where: short stacking energy: -160.448
Base-Backbone interact. energy: 0.057
local terms energy: -168.364456
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -476.628865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.628865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.628865 (E_RNA)
where:
Base-Base interactions energy: -316.823
where: short stacking energy: -149.317
Base-Backbone interact. energy: -0.135
local terms energy: -159.671540
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -465.548296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.548296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.548296 (E_RNA)
where:
Base-Base interactions energy: -301.656
where: short stacking energy: -138.900
Base-Backbone interact. energy: 1.697
local terms energy: -165.589621
where:
bonds (distance) C4'-P energy: -33.979
bonds (distance) P-C4' energy: -33.249
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -41.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -443.318019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.318019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.318019 (E_RNA)
where:
Base-Base interactions energy: -278.700
where: short stacking energy: -127.532
Base-Backbone interact. energy: -0.704
local terms energy: -163.913565
where:
bonds (distance) C4'-P energy: -35.824
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -37.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -329.082049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.082049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.082049 (E_RNA)
where:
Base-Base interactions energy: -200.279
where: short stacking energy: -99.956
Base-Backbone interact. energy: -0.741
local terms energy: -128.061570
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -307.323433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.323433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.323433 (E_RNA)
where:
Base-Base interactions energy: -169.210
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.208
local terms energy: -137.905068
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -267.437988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.437988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.437988 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -67.375
Base-Backbone interact. energy: -1.379
local terms energy: -122.006289
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -35.120
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -145.709031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.709031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.709031 (E_RNA)
where:
Base-Base interactions energy: -49.021
where: short stacking energy: -41.684
Base-Backbone interact. energy: -1.771
local terms energy: -94.916916
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: 6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -566.486727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.486727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.486727 (E_RNA)
where:
Base-Base interactions energy: -376.525
where: short stacking energy: -180.968
Base-Backbone interact. energy: -0.002
local terms energy: -189.960164
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -36.617
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -56.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -525.437701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.437701 (E_RNA)
where:
Base-Base interactions energy: -344.703
where: short stacking energy: -164.165
Base-Backbone interact. energy: 0.848
local terms energy: -181.581995
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -49.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -500.004437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.004437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.004437 (E_RNA)
where:
Base-Base interactions energy: -321.377
where: short stacking energy: -153.155
Base-Backbone interact. energy: -0.121
local terms energy: -178.506245
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -50.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -495.447168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.447168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.447168 (E_RNA)
where:
Base-Base interactions energy: -327.720
where: short stacking energy: -156.323
Base-Backbone interact. energy: -0.671
local terms energy: -167.056273
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -42.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -450.034553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.034553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.034553 (E_RNA)
where:
Base-Base interactions energy: -297.583
where: short stacking energy: -136.334
Base-Backbone interact. energy: 0.385
local terms energy: -152.835899
where:
bonds (distance) C4'-P energy: -33.416
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -38.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -408.802504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.802504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.802504 (E_RNA)
where:
Base-Base interactions energy: -265.378
where: short stacking energy: -110.112
Base-Backbone interact. energy: 2.335
local terms energy: -145.760178
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -305.212772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.212772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.212772 (E_RNA)
where:
Base-Base interactions energy: -178.519
where: short stacking energy: -90.957
Base-Backbone interact. energy: 2.690
local terms energy: -129.383724
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -328.800258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.800258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.800258 (E_RNA)
where:
Base-Base interactions energy: -178.543
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.159
local terms energy: -150.098311
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -273.354372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.354372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.354372 (E_RNA)
where:
Base-Base interactions energy: -150.722
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.351
local terms energy: -122.281555
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -160.147499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.147499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.147499 (E_RNA)
where:
Base-Base interactions energy: -68.169
where: short stacking energy: -58.195
Base-Backbone interact. energy: 0.057
local terms energy: -92.035518
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -575.738432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.738432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.738432 (E_RNA)
where:
Base-Base interactions energy: -371.689
where: short stacking energy: -184.067
Base-Backbone interact. energy: -0.150
local terms energy: -203.898749
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -39.876
flat angles C4'-P-C4' energy: -43.386
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -60.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -524.263823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.263823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.263823 (E_RNA)
where:
Base-Base interactions energy: -334.901
where: short stacking energy: -152.667
Base-Backbone interact. energy: -0.384
local terms energy: -188.978714
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -53.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -506.335316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.335316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.335316 (E_RNA)
where:
Base-Base interactions energy: -329.203
where: short stacking energy: -151.206
Base-Backbone interact. energy: -0.723
local terms energy: -176.409550
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -49.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -454.094852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.094852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.094852 (E_RNA)
where:
Base-Base interactions energy: -287.865
where: short stacking energy: -125.449
Base-Backbone interact. energy: -1.082
local terms energy: -165.148154
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -41.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -477.334657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.334657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.334657 (E_RNA)
where:
Base-Base interactions energy: -303.682
where: short stacking energy: -135.365
Base-Backbone interact. energy: -0.133
local terms energy: -173.519731
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -45.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -423.564942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.564942 (E_RNA)
where:
Base-Base interactions energy: -270.659
where: short stacking energy: -124.228
Base-Backbone interact. energy: -0.289
local terms energy: -152.616946
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -320.259948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.259948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.259948 (E_RNA)
where:
Base-Base interactions energy: -197.965
where: short stacking energy: -83.223
Base-Backbone interact. energy: -0.354
local terms energy: -121.940459
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -324.986340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.986340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.986340 (E_RNA)
where:
Base-Base interactions energy: -180.468
where: short stacking energy: -99.837
Base-Backbone interact. energy: -0.255
local terms energy: -144.263091
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -301.847288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.847288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.847288 (E_RNA)
where:
Base-Base interactions energy: -186.125
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.626
local terms energy: -115.096342
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -153.897940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.897940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.897940 (E_RNA)
where:
Base-Base interactions energy: -51.458
where: short stacking energy: -48.777
Base-Backbone interact. energy: -1.386
local terms energy: -101.053970
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -578.947856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.947856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.947856 (E_RNA)
where:
Base-Base interactions energy: -392.468
where: short stacking energy: -192.546
Base-Backbone interact. energy: 1.949
local terms energy: -188.429404
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -60.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -532.912348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.912348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.912348 (E_RNA)
where:
Base-Base interactions energy: -344.341
where: short stacking energy: -158.383
Base-Backbone interact. energy: -0.494
local terms energy: -188.076995
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -52.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -518.978017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.978017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.978017 (E_RNA)
where:
Base-Base interactions energy: -345.409
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.654
local terms energy: -172.914597
where:
bonds (distance) C4'-P energy: -30.434
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -48.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -455.161465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.161465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.161465 (E_RNA)
where:
Base-Base interactions energy: -298.794
where: short stacking energy: -135.637
Base-Backbone interact. energy: 0.913
local terms energy: -157.280529
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -38.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -468.765953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.765953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.765953 (E_RNA)
where:
Base-Base interactions energy: -309.024
where: short stacking energy: -142.726
Base-Backbone interact. energy: -0.017
local terms energy: -159.725149
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -38.848
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -428.124004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.124004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.124004 (E_RNA)
where:
Base-Base interactions energy: -267.180
where: short stacking energy: -132.267
Base-Backbone interact. energy: -1.045
local terms energy: -159.899206
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -33.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -316.222972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.222972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.222972 (E_RNA)
where:
Base-Base interactions energy: -186.367
where: short stacking energy: -91.599
Base-Backbone interact. energy: -0.439
local terms energy: -129.416461
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -314.420395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.420395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.420395 (E_RNA)
where:
Base-Base interactions energy: -184.475
where: short stacking energy: -91.198
Base-Backbone interact. energy: -0.313
local terms energy: -129.632264
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -288.628787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.628787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.628787 (E_RNA)
where:
Base-Base interactions energy: -156.014
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.437
local terms energy: -132.177786
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -161.270232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.270232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.270232 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.195
local terms energy: -118.672162
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -571.627278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.627278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.627278 (E_RNA)
where:
Base-Base interactions energy: -377.367
where: short stacking energy: -183.141
Base-Backbone interact. energy: -0.107
local terms energy: -194.153424
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -54.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -533.327465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.327465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.327465 (E_RNA)
where:
Base-Base interactions energy: -349.262
where: short stacking energy: -164.435
Base-Backbone interact. energy: -0.716
local terms energy: -183.349481
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -52.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -506.193715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.193715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.193715 (E_RNA)
where:
Base-Base interactions energy: -333.918
where: short stacking energy: -157.087
Base-Backbone interact. energy: -0.427
local terms energy: -171.848497
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -46.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -494.693141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.693141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.693141 (E_RNA)
where:
Base-Base interactions energy: -322.927
where: short stacking energy: -149.839
Base-Backbone interact. energy: -2.879
local terms energy: -168.886681
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -41.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -464.385479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.385479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.385479 (E_RNA)
where:
Base-Base interactions energy: -293.343
where: short stacking energy: -142.265
Base-Backbone interact. energy: -0.224
local terms energy: -170.818128
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -419.486798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.486798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.486798 (E_RNA)
where:
Base-Base interactions energy: -274.319
where: short stacking energy: -129.041
Base-Backbone interact. energy: -1.052
local terms energy: -144.116376
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -31.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -347.347962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.347962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.347962 (E_RNA)
where:
Base-Base interactions energy: -194.578
where: short stacking energy: -107.248
Base-Backbone interact. energy: 3.291
local terms energy: -156.060954
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -335.462102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.462102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.462102 (E_RNA)
where:
Base-Base interactions energy: -186.169
where: short stacking energy: -101.919
Base-Backbone interact. energy: -0.119
local terms energy: -149.174129
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -29.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -299.274666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.274666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.274666 (E_RNA)
where:
Base-Base interactions energy: -174.541
where: short stacking energy: -84.438
Base-Backbone interact. energy: -0.194
local terms energy: -124.539444
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -205.327999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327999 (E_RNA)
where:
Base-Base interactions energy: -90.687
where: short stacking energy: -46.770
Base-Backbone interact. energy: 1.324
local terms energy: -115.964459
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -572.026733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.026733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.026733 (E_RNA)
where:
Base-Base interactions energy: -377.291
where: short stacking energy: -193.289
Base-Backbone interact. energy: -0.141
local terms energy: -194.594851
where:
bonds (distance) C4'-P energy: -34.206
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -40.363
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -60.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -541.452240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.452240 (E_RNA)
where:
Base-Base interactions energy: -367.530
where: short stacking energy: -165.819
Base-Backbone interact. energy: -0.523
local terms energy: -173.398499
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -47.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -513.272559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.272559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.272559 (E_RNA)
where:
Base-Base interactions energy: -332.895
where: short stacking energy: -156.653
Base-Backbone interact. energy: -0.232
local terms energy: -180.145099
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -479.831272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.831272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.831272 (E_RNA)
where:
Base-Base interactions energy: -307.240
where: short stacking energy: -145.730
Base-Backbone interact. energy: 2.325
local terms energy: -174.916658
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -438.941859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.941859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.941859 (E_RNA)
where:
Base-Base interactions energy: -287.981
where: short stacking energy: -119.274
Base-Backbone interact. energy: -0.328
local terms energy: -150.632537
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -381.458541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.458541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.458541 (E_RNA)
where:
Base-Base interactions energy: -240.510
where: short stacking energy: -102.589
Base-Backbone interact. energy: -0.682
local terms energy: -140.266172
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -332.666697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.666697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.666697 (E_RNA)
where:
Base-Base interactions energy: -199.668
where: short stacking energy: -107.818
Base-Backbone interact. energy: -0.605
local terms energy: -132.393515
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -324.270610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.270610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.270610 (E_RNA)
where:
Base-Base interactions energy: -182.791
where: short stacking energy: -103.514
Base-Backbone interact. energy: -0.698
local terms energy: -140.781243
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -36.544
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -293.249719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.249719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.249719 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.622
local terms energy: -126.754742
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -218.775171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.775171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.775171 (E_RNA)
where:
Base-Base interactions energy: -111.098
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.518
local terms energy: -107.159418
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -581.937716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.937716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.937716 (E_RNA)
where:
Base-Base interactions energy: -383.700
where: short stacking energy: -181.521
Base-Backbone interact. energy: 0.003
local terms energy: -198.240537
where:
bonds (distance) C4'-P energy: -34.416
bonds (distance) P-C4' energy: -33.780
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -57.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -536.782522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.782522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.782522 (E_RNA)
where:
Base-Base interactions energy: -348.267
where: short stacking energy: -172.083
Base-Backbone interact. energy: -0.202
local terms energy: -188.312730
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -53.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -513.127149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.127149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.127149 (E_RNA)
where:
Base-Base interactions energy: -324.241
where: short stacking energy: -162.792
Base-Backbone interact. energy: -0.014
local terms energy: -188.871705
where:
bonds (distance) C4'-P energy: -38.068
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -53.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -488.838674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.838674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.838674 (E_RNA)
where:
Base-Base interactions energy: -331.068
where: short stacking energy: -155.442
Base-Backbone interact. energy: 0.118
local terms energy: -157.888675
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -42.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -449.726122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.726122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.726122 (E_RNA)
where:
Base-Base interactions energy: -283.843
where: short stacking energy: -119.491
Base-Backbone interact. energy: -0.428
local terms energy: -165.454988
where:
bonds (distance) C4'-P energy: -38.599
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -36.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -379.012677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.012677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.012677 (E_RNA)
where:
Base-Base interactions energy: -235.070
where: short stacking energy: -92.876
Base-Backbone interact. energy: 1.104
local terms energy: -145.047357
where:
bonds (distance) C4'-P energy: -30.986
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -328.558711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.558711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.558711 (E_RNA)
where:
Base-Base interactions energy: -198.193
where: short stacking energy: -94.372
Base-Backbone interact. energy: -1.100
local terms energy: -129.265422
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -25.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -308.549616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.549616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.549616 (E_RNA)
where:
Base-Base interactions energy: -176.513
where: short stacking energy: -83.341
Base-Backbone interact. energy: -1.442
local terms energy: -130.595192
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -282.241083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.241083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.241083 (E_RNA)
where:
Base-Base interactions energy: -171.291
where: short stacking energy: -84.257
Base-Backbone interact. energy: -0.309
local terms energy: -110.641421
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -219.774844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.774844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.774844 (E_RNA)
where:
Base-Base interactions energy: -102.623
where: short stacking energy: -48.069
Base-Backbone interact. energy: 0.172
local terms energy: -117.324181
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -575.335754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.335754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.335754 (E_RNA)
where:
Base-Base interactions energy: -366.213
where: short stacking energy: -175.089
Base-Backbone interact. energy: -0.040
local terms energy: -209.083084
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -41.605
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -34.227
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -537.847291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.847291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.847291 (E_RNA)
where:
Base-Base interactions energy: -359.595
where: short stacking energy: -166.489
Base-Backbone interact. energy: -0.101
local terms energy: -178.151524
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -38.464
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -49.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -506.292570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.292570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.292570 (E_RNA)
where:
Base-Base interactions energy: -333.154
where: short stacking energy: -165.441
Base-Backbone interact. energy: -0.040
local terms energy: -173.098013
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -495.113753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.113753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.113753 (E_RNA)
where:
Base-Base interactions energy: -317.669
where: short stacking energy: -159.430
Base-Backbone interact. energy: -0.185
local terms energy: -177.259287
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -50.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -411.994560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.994560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.994560 (E_RNA)
where:
Base-Base interactions energy: -260.426
where: short stacking energy: -114.397
Base-Backbone interact. energy: 0.386
local terms energy: -151.954185
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -469.019676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.019676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.019676 (E_RNA)
where:
Base-Base interactions energy: -300.028
where: short stacking energy: -138.455
Base-Backbone interact. energy: -1.130
local terms energy: -167.861804
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -38.560
flat angles C4'-P-C4' energy: -39.446
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -38.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -327.706854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.706854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.706854 (E_RNA)
where:
Base-Base interactions energy: -191.203
where: short stacking energy: -96.242
Base-Backbone interact. energy: 0.239
local terms energy: -136.742773
where:
bonds (distance) C4'-P energy: -31.202
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -25.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -308.306547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.306547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.306547 (E_RNA)
where:
Base-Base interactions energy: -178.767
where: short stacking energy: -83.581
Base-Backbone interact. energy: -0.581
local terms energy: -128.958690
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -38.079
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -282.322159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.322159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.322159 (E_RNA)
where:
Base-Base interactions energy: -171.316
where: short stacking energy: -88.050
Base-Backbone interact. energy: -0.583
local terms energy: -110.423574
where:
bonds (distance) C4'-P energy: -36.147
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -247.574892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.574892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.574892 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -68.020
Base-Backbone interact. energy: 0.323
local terms energy: -111.212002
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -588.423166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.423166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.423166 (E_RNA)
where:
Base-Base interactions energy: -382.901
where: short stacking energy: -197.806
Base-Backbone interact. energy: -0.224
local terms energy: -205.298365
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -36.061
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -531.139558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.139558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.139558 (E_RNA)
where:
Base-Base interactions energy: -344.671
where: short stacking energy: -169.621
Base-Backbone interact. energy: 0.433
local terms energy: -186.902091
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -54.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -519.332195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.332195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.332195 (E_RNA)
where:
Base-Base interactions energy: -343.959
where: short stacking energy: -162.395
Base-Backbone interact. energy: -0.118
local terms energy: -175.255511
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -47.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -473.439078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.439078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.439078 (E_RNA)
where:
Base-Base interactions energy: -303.496
where: short stacking energy: -148.213
Base-Backbone interact. energy: -0.353
local terms energy: -169.590031
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -43.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -395.475388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.475388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.475388 (E_RNA)
where:
Base-Base interactions energy: -247.392
where: short stacking energy: -109.888
Base-Backbone interact. energy: -0.809
local terms energy: -147.275122
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -446.744863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.744863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.744863 (E_RNA)
where:
Base-Base interactions energy: -289.358
where: short stacking energy: -141.580
Base-Backbone interact. energy: -0.179
local terms energy: -157.207983
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -333.507197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.507197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.507197 (E_RNA)
where:
Base-Base interactions energy: -197.834
where: short stacking energy: -103.758
Base-Backbone interact. energy: -0.855
local terms energy: -134.818375
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -311.032219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.032219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.032219 (E_RNA)
where:
Base-Base interactions energy: -183.941
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.304
local terms energy: -126.787206
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -36.136
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -321.617185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.617185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.617185 (E_RNA)
where:
Base-Base interactions energy: -199.467
where: short stacking energy: -88.625
Base-Backbone interact. energy: -0.264
local terms energy: -121.886826
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -228.571847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.571847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.571847 (E_RNA)
where:
Base-Base interactions energy: -110.122
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.285
local terms energy: -118.164573
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -578.759678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.759678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.759678 (E_RNA)
where:
Base-Base interactions energy: -384.001
where: short stacking energy: -187.161
Base-Backbone interact. energy: -0.396
local terms energy: -194.362765
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -56.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -550.096397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.096397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.096397 (E_RNA)
where:
Base-Base interactions energy: -362.908
where: short stacking energy: -164.316
Base-Backbone interact. energy: -0.544
local terms energy: -186.643687
where:
bonds (distance) C4'-P energy: -34.136
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -53.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -496.341564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.341564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.341564 (E_RNA)
where:
Base-Base interactions energy: -313.612
where: short stacking energy: -169.906
Base-Backbone interact. energy: -0.348
local terms energy: -182.382450
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -510.948602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.948602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.948602 (E_RNA)
where:
Base-Base interactions energy: -334.542
where: short stacking energy: -157.923
Base-Backbone interact. energy: -0.172
local terms energy: -176.234166
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -23.489
tors. eta vs tors. theta energy: -41.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -420.562498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.562498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.562498 (E_RNA)
where:
Base-Base interactions energy: -267.930
where: short stacking energy: -137.414
Base-Backbone interact. energy: -0.823
local terms energy: -151.809628
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -413.710208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.710208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.710208 (E_RNA)
where:
Base-Base interactions energy: -272.101
where: short stacking energy: -123.205
Base-Backbone interact. energy: 0.101
local terms energy: -141.710613
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -339.575289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.575289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.575289 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -95.192
Base-Backbone interact. energy: 1.526
local terms energy: -144.611942
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -27.327
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -298.260741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.260741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.260741 (E_RNA)
where:
Base-Base interactions energy: -176.584
where: short stacking energy: -84.110
Base-Backbone interact. energy: -0.534
local terms energy: -121.142548
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -307.830965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.830965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.830965 (E_RNA)
where:
Base-Base interactions energy: -180.881
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.258
local terms energy: -126.691994
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -201.275463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.275463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.275463 (E_RNA)
where:
Base-Base interactions energy: -113.508
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.033
local terms energy: -87.735015
where:
bonds (distance) C4'-P energy: -26.160
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -578.744916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.744916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.744916 (E_RNA)
where:
Base-Base interactions energy: -386.496
where: short stacking energy: -195.412
Base-Backbone interact. energy: -0.018
local terms energy: -192.230263
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -39.058
flat angles P-C4'-P energy: -30.487
tors. eta vs tors. theta energy: -57.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -553.168542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.168542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.168542 (E_RNA)
where:
Base-Base interactions energy: -366.227
where: short stacking energy: -172.406
Base-Backbone interact. energy: 0.391
local terms energy: -187.331737
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -37.956
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -52.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -489.962712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.962712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.962712 (E_RNA)
where:
Base-Base interactions energy: -302.388
where: short stacking energy: -163.012
Base-Backbone interact. energy: -1.243
local terms energy: -186.331948
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -48.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -490.439163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.439163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.439163 (E_RNA)
where:
Base-Base interactions energy: -309.667
where: short stacking energy: -149.685
Base-Backbone interact. energy: -1.264
local terms energy: -179.507908
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -423.068575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.068575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.068575 (E_RNA)
where:
Base-Base interactions energy: -261.062
where: short stacking energy: -120.988
Base-Backbone interact. energy: -0.548
local terms energy: -161.458924
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -35.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -396.419545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.419545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.419545 (E_RNA)
where:
Base-Base interactions energy: -256.648
where: short stacking energy: -110.918
Base-Backbone interact. energy: -0.938
local terms energy: -138.833836
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -318.526590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.526590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.526590 (E_RNA)
where:
Base-Base interactions energy: -173.468
where: short stacking energy: -89.453
Base-Backbone interact. energy: -0.222
local terms energy: -144.837373
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -294.385842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.385842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.385842 (E_RNA)
where:
Base-Base interactions energy: -185.748
where: short stacking energy: -100.434
Base-Backbone interact. energy: 0.136
local terms energy: -108.774000
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -336.841047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.841047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.841047 (E_RNA)
where:
Base-Base interactions energy: -195.137
where: short stacking energy: -98.598
Base-Backbone interact. energy: -0.448
local terms energy: -141.256218
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -165.206178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.206178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.206178 (E_RNA)
where:
Base-Base interactions energy: -66.615
where: short stacking energy: -36.176
Base-Backbone interact. energy: -0.361
local terms energy: -98.230245
where:
bonds (distance) C4'-P energy: -33.453
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -588.329108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.329108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.329108 (E_RNA)
where:
Base-Base interactions energy: -389.012
where: short stacking energy: -193.745
Base-Backbone interact. energy: -0.103
local terms energy: -199.213733
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -40.454
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -540.662574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.662574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.662574 (E_RNA)
where:
Base-Base interactions energy: -354.187
where: short stacking energy: -161.960
Base-Backbone interact. energy: -0.707
local terms energy: -185.768622
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -53.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -496.353548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.353548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.353548 (E_RNA)
where:
Base-Base interactions energy: -325.955
where: short stacking energy: -152.437
Base-Backbone interact. energy: -0.413
local terms energy: -169.985597
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -456.109612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.109612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.109612 (E_RNA)
where:
Base-Base interactions energy: -286.692
where: short stacking energy: -145.338
Base-Backbone interact. energy: -0.161
local terms energy: -169.255940
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -428.951126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.951126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.951126 (E_RNA)
where:
Base-Base interactions energy: -266.312
where: short stacking energy: -143.928
Base-Backbone interact. energy: -0.153
local terms energy: -162.485626
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -37.637
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -405.931713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.931713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.931713 (E_RNA)
where:
Base-Base interactions energy: -252.467
where: short stacking energy: -130.598
Base-Backbone interact. energy: 1.448
local terms energy: -154.912052
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -319.426972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.426972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.426972 (E_RNA)
where:
Base-Base interactions energy: -186.459
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.627
local terms energy: -132.340915
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -339.491582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.491582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.491582 (E_RNA)
where:
Base-Base interactions energy: -202.880
where: short stacking energy: -90.665
Base-Backbone interact. energy: 0.036
local terms energy: -136.648270
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -35.211
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -316.121800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.121800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.121800 (E_RNA)
where:
Base-Base interactions energy: -191.409
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.225
local terms energy: -124.487984
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -166.473483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.473483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.473483 (E_RNA)
where:
Base-Base interactions energy: -52.818
where: short stacking energy: -45.316
Base-Backbone interact. energy: -1.069
local terms energy: -112.587333
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -579.918249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.918249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.918249 (E_RNA)
where:
Base-Base interactions energy: -387.646
where: short stacking energy: -189.940
Base-Backbone interact. energy: -1.275
local terms energy: -190.996998
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -40.722
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -57.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -553.231763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.231763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.231763 (E_RNA)
where:
Base-Base interactions energy: -370.051
where: short stacking energy: -182.096
Base-Backbone interact. energy: -0.117
local terms energy: -183.063013
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -53.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -501.621600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.621600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.621600 (E_RNA)
where:
Base-Base interactions energy: -336.540
where: short stacking energy: -159.277
Base-Backbone interact. energy: -0.227
local terms energy: -164.853796
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -41.147
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -42.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -478.859358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.859358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.859358 (E_RNA)
where:
Base-Base interactions energy: -305.910
where: short stacking energy: -149.058
Base-Backbone interact. energy: -0.619
local terms energy: -172.330314
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -406.390252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.390252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.390252 (E_RNA)
where:
Base-Base interactions energy: -251.220
where: short stacking energy: -124.459
Base-Backbone interact. energy: -1.126
local terms energy: -154.043389
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -38.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -339.522331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.522331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.522331 (E_RNA)
where:
Base-Base interactions energy: -209.166
where: short stacking energy: -121.872
Base-Backbone interact. energy: -0.213
local terms energy: -130.143786
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -382.092517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.092517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.092517 (E_RNA)
where:
Base-Base interactions energy: -247.435
where: short stacking energy: -120.349
Base-Backbone interact. energy: -0.967
local terms energy: -133.691154
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -310.270898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.270898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.270898 (E_RNA)
where:
Base-Base interactions energy: -193.597
where: short stacking energy: -101.456
Base-Backbone interact. energy: 0.195
local terms energy: -116.868501
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -35.904
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -298.006475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.006475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.006475 (E_RNA)
where:
Base-Base interactions energy: -161.177
where: short stacking energy: -78.195
Base-Backbone interact. energy: -1.166
local terms energy: -135.662960
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -164.712928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.712928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.712928 (E_RNA)
where:
Base-Base interactions energy: -56.918
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.985
local terms energy: -106.809773
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -580.148598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.148598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.148598 (E_RNA)
where:
Base-Base interactions energy: -380.033
where: short stacking energy: -183.841
Base-Backbone interact. energy: -0.209
local terms energy: -199.906203
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -44.399
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -57.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -543.506693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.506693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.506693 (E_RNA)
where:
Base-Base interactions energy: -356.391
where: short stacking energy: -170.119
Base-Backbone interact. energy: 2.310
local terms energy: -189.425282
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -39.647
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -53.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -487.754844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.754844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.754844 (E_RNA)
where:
Base-Base interactions energy: -325.086
where: short stacking energy: -148.963
Base-Backbone interact. energy: -0.904
local terms energy: -161.764564
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -37.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -481.175417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.175417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.175417 (E_RNA)
where:
Base-Base interactions energy: -318.117
where: short stacking energy: -142.860
Base-Backbone interact. energy: -0.753
local terms energy: -162.304926
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -47.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -408.221110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.221110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.221110 (E_RNA)
where:
Base-Base interactions energy: -256.458
where: short stacking energy: -131.236
Base-Backbone interact. energy: -1.514
local terms energy: -150.248809
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -45.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -340.904142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.904142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.904142 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -98.939
Base-Backbone interact. energy: -0.562
local terms energy: -144.269887
where:
bonds (distance) C4'-P energy: -28.895
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -313.823453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.823453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.823453 (E_RNA)
where:
Base-Base interactions energy: -193.163
where: short stacking energy: -100.908
Base-Backbone interact. energy: 2.018
local terms energy: -122.678480
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -359.101279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.101279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.101279 (E_RNA)
where:
Base-Base interactions energy: -224.260
where: short stacking energy: -99.799
Base-Backbone interact. energy: -0.540
local terms energy: -134.301697
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -295.042215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.042215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.042215 (E_RNA)
where:
Base-Base interactions energy: -170.481
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.118
local terms energy: -124.442601
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -159.296227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.296227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.296227 (E_RNA)
where:
Base-Base interactions energy: -69.891
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.488
local terms energy: -88.916864
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -0.142
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -576.067176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.067176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.067176 (E_RNA)
where:
Base-Base interactions energy: -365.745
where: short stacking energy: -179.380
Base-Backbone interact. energy: -0.098
local terms energy: -210.224802
where:
bonds (distance) C4'-P energy: -38.748
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -62.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -534.436733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.436733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.436733 (E_RNA)
where:
Base-Base interactions energy: -358.964
where: short stacking energy: -157.523
Base-Backbone interact. energy: -0.865
local terms energy: -174.608112
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: -45.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -516.666700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.666700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.666700 (E_RNA)
where:
Base-Base interactions energy: -352.131
where: short stacking energy: -157.167
Base-Backbone interact. energy: -0.225
local terms energy: -164.310728
where:
bonds (distance) C4'-P energy: -37.040
bonds (distance) P-C4' energy: -31.559
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -42.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -497.172877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.172877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.172877 (E_RNA)
where:
Base-Base interactions energy: -328.264
where: short stacking energy: -151.154
Base-Backbone interact. energy: -0.522
local terms energy: -168.387042
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -36.981
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -51.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -402.903518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.903518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.903518 (E_RNA)
where:
Base-Base interactions energy: -251.658
where: short stacking energy: -126.108
Base-Backbone interact. energy: -0.060
local terms energy: -151.185428
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -33.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -346.581017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.581017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.581017 (E_RNA)
where:
Base-Base interactions energy: -201.520
where: short stacking energy: -97.869
Base-Backbone interact. energy: -0.713
local terms energy: -144.348455
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -37.796
flat angles C4'-P-C4' energy: -33.966
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -320.703709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.703709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.703709 (E_RNA)
where:
Base-Base interactions energy: -193.301
where: short stacking energy: -102.732
Base-Backbone interact. energy: 0.027
local terms energy: -127.429826
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -373.387621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.387621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.387621 (E_RNA)
where:
Base-Base interactions energy: -243.490
where: short stacking energy: -111.154
Base-Backbone interact. energy: -0.549
local terms energy: -129.348893
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -301.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.588520 (E_RNA)
where:
Base-Base interactions energy: -180.358
where: short stacking energy: -97.947
Base-Backbone interact. energy: -0.180
local terms energy: -121.050853
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -149.248041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.248041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.248041 (E_RNA)
where:
Base-Base interactions energy: -48.633
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.558
local terms energy: -100.056741
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -588.461372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.461372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.461372 (E_RNA)
where:
Base-Base interactions energy: -380.498
where: short stacking energy: -186.884
Base-Backbone interact. energy: 0.246
local terms energy: -208.209387
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -41.544
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -58.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -551.177995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.177995 (E_RNA)
where:
Base-Base interactions energy: -370.141
where: short stacking energy: -178.908
Base-Backbone interact. energy: -0.424
local terms energy: -180.612799
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -58.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -508.053575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.053575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.053575 (E_RNA)
where:
Base-Base interactions energy: -332.078
where: short stacking energy: -147.021
Base-Backbone interact. energy: -0.897
local terms energy: -175.078551
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -41.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -496.777891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.777891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.777891 (E_RNA)
where:
Base-Base interactions energy: -334.138
where: short stacking energy: -156.681
Base-Backbone interact. energy: 0.273
local terms energy: -162.912010
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -420.400789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.400789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.400789 (E_RNA)
where:
Base-Base interactions energy: -258.287
where: short stacking energy: -131.945
Base-Backbone interact. energy: -0.350
local terms energy: -161.763382
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -37.662
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -44.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -346.783759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.783759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.783759 (E_RNA)
where:
Base-Base interactions energy: -213.675
where: short stacking energy: -111.832
Base-Backbone interact. energy: -0.189
local terms energy: -132.919346
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -362.450756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.450756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.450756 (E_RNA)
where:
Base-Base interactions energy: -224.531
where: short stacking energy: -99.937
Base-Backbone interact. energy: -1.231
local terms energy: -136.688744
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -23.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -308.624793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.624793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.624793 (E_RNA)
where:
Base-Base interactions energy: -192.018
where: short stacking energy: -83.647
Base-Backbone interact. energy: -0.012
local terms energy: -116.594664
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -266.279227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.279227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.279227 (E_RNA)
where:
Base-Base interactions energy: -158.563
where: short stacking energy: -82.467
Base-Backbone interact. energy: -0.348
local terms energy: -107.368226
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -153.014342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.014342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.014342 (E_RNA)
where:
Base-Base interactions energy: -53.677
where: short stacking energy: -40.013
Base-Backbone interact. energy: -0.537
local terms energy: -98.800419
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: 9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -581.527092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.527092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.527092 (E_RNA)
where:
Base-Base interactions energy: -376.824
where: short stacking energy: -189.340
Base-Backbone interact. energy: -0.115
local terms energy: -204.588173
where:
bonds (distance) C4'-P energy: -40.958
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -60.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -530.476492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.476492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.476492 (E_RNA)
where:
Base-Base interactions energy: -353.822
where: short stacking energy: -168.739
Base-Backbone interact. energy: -0.454
local terms energy: -176.199812
where:
bonds (distance) C4'-P energy: -32.041
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -48.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -494.760714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.760714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.760714 (E_RNA)
where:
Base-Base interactions energy: -320.682
where: short stacking energy: -150.194
Base-Backbone interact. energy: -1.533
local terms energy: -172.545908
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -478.861212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.861212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.861212 (E_RNA)
where:
Base-Base interactions energy: -309.126
where: short stacking energy: -139.889
Base-Backbone interact. energy: -0.331
local terms energy: -169.403916
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -40.733
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -406.534001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.534001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.534001 (E_RNA)
where:
Base-Base interactions energy: -245.770
where: short stacking energy: -123.334
Base-Backbone interact. energy: 1.180
local terms energy: -161.943995
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -397.012685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.012685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.012685 (E_RNA)
where:
Base-Base interactions energy: -244.116
where: short stacking energy: -114.919
Base-Backbone interact. energy: 0.031
local terms energy: -152.927458
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -314.818223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.818223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.818223 (E_RNA)
where:
Base-Base interactions energy: -191.131
where: short stacking energy: -102.579
Base-Backbone interact. energy: 1.390
local terms energy: -125.076868
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -316.132168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.132168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.132168 (E_RNA)
where:
Base-Base interactions energy: -180.055
where: short stacking energy: -87.726
Base-Backbone interact. energy: -0.097
local terms energy: -135.979718
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -283.820190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.820190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.820190 (E_RNA)
where:
Base-Base interactions energy: -165.136
where: short stacking energy: -76.697
Base-Backbone interact. energy: 1.039
local terms energy: -119.723393
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -154.196993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.196993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.196993 (E_RNA)
where:
Base-Base interactions energy: -61.904
where: short stacking energy: -42.077
Base-Backbone interact. energy: 1.543
local terms energy: -93.835855
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: 4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -578.796143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.796143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.796143 (E_RNA)
where:
Base-Base interactions energy: -372.364
where: short stacking energy: -182.219
Base-Backbone interact. energy: -0.031
local terms energy: -206.400699
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -41.904
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -58.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -538.894076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.894076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.894076 (E_RNA)
where:
Base-Base interactions energy: -343.166
where: short stacking energy: -159.021
Base-Backbone interact. energy: 2.462
local terms energy: -198.189306
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -30.586
tors. eta vs tors. theta energy: -52.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -522.668347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.668347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.668347 (E_RNA)
where:
Base-Base interactions energy: -350.638
where: short stacking energy: -156.044
Base-Backbone interact. energy: -0.253
local terms energy: -171.777218
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -48.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -481.906038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.906038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.906038 (E_RNA)
where:
Base-Base interactions energy: -307.660
where: short stacking energy: -145.959
Base-Backbone interact. energy: -0.645
local terms energy: -173.601046
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -36.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -389.234241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.234241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.234241 (E_RNA)
where:
Base-Base interactions energy: -236.023
where: short stacking energy: -104.428
Base-Backbone interact. energy: 1.660
local terms energy: -154.870843
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -392.535477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.535477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.535477 (E_RNA)
where:
Base-Base interactions energy: -246.518
where: short stacking energy: -127.708
Base-Backbone interact. energy: -0.505
local terms energy: -145.512483
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -36.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -315.146420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.146420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.146420 (E_RNA)
where:
Base-Base interactions energy: -185.556
where: short stacking energy: -81.366
Base-Backbone interact. energy: -1.302
local terms energy: -128.288994
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -36.445
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -298.776427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.776427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.776427 (E_RNA)
where:
Base-Base interactions energy: -160.770
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.194
local terms energy: -137.812918
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -251.174029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.174029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.174029 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -74.179
Base-Backbone interact. energy: -0.612
local terms energy: -99.059339
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -162.379334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.379334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.379334 (E_RNA)
where:
Base-Base interactions energy: -68.859
where: short stacking energy: -48.085
Base-Backbone interact. energy: 0.185
local terms energy: -93.704945
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -583.552426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.552426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.552426 (E_RNA)
where:
Base-Base interactions energy: -383.858
where: short stacking energy: -183.827
Base-Backbone interact. energy: -0.017
local terms energy: -199.677727
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -43.546
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -56.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -537.126961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.126961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.126961 (E_RNA)
where:
Base-Base interactions energy: -351.216
where: short stacking energy: -162.300
Base-Backbone interact. energy: -0.684
local terms energy: -185.226652
where:
bonds (distance) C4'-P energy: -36.856
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -48.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -510.931720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.931720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.931720 (E_RNA)
where:
Base-Base interactions energy: -346.078
where: short stacking energy: -157.437
Base-Backbone interact. energy: -0.302
local terms energy: -164.552197
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -35.868
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -48.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -478.878882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.878882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.878882 (E_RNA)
where:
Base-Base interactions energy: -314.890
where: short stacking energy: -140.392
Base-Backbone interact. energy: 0.075
local terms energy: -164.063933
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -38.324
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -417.081359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.081359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.081359 (E_RNA)
where:
Base-Base interactions energy: -270.417
where: short stacking energy: -125.446
Base-Backbone interact. energy: -0.205
local terms energy: -146.458445
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -341.867528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.867528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.867528 (E_RNA)
where:
Base-Base interactions energy: -215.304
where: short stacking energy: -89.704
Base-Backbone interact. energy: 1.496
local terms energy: -128.059490
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -35.559
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -333.829323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.829323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.829323 (E_RNA)
where:
Base-Base interactions energy: -194.833
where: short stacking energy: -105.888
Base-Backbone interact. energy: 1.184
local terms energy: -140.179679
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -309.670914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.670914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.670914 (E_RNA)
where:
Base-Base interactions energy: -179.112
where: short stacking energy: -90.713
Base-Backbone interact. energy: 1.150
local terms energy: -131.708314
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -270.384592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.384592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.384592 (E_RNA)
where:
Base-Base interactions energy: -145.500
where: short stacking energy: -78.065
Base-Backbone interact. energy: 1.516
local terms energy: -126.400256
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -152.978415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.978415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.978415 (E_RNA)
where:
Base-Base interactions energy: -61.498
where: short stacking energy: -53.150
Base-Backbone interact. energy: 1.286
local terms energy: -92.766838
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: 3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -589.922016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.922016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.922016 (E_RNA)
where:
Base-Base interactions energy: -384.554
where: short stacking energy: -188.874
Base-Backbone interact. energy: -0.005
local terms energy: -205.362691
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -30.329
tors. eta vs tors. theta energy: -61.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -526.426436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.426436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.426436 (E_RNA)
where:
Base-Base interactions energy: -349.109
where: short stacking energy: -155.663
Base-Backbone interact. energy: 2.045
local terms energy: -179.361610
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -514.601629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.601629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.601629 (E_RNA)
where:
Base-Base interactions energy: -342.201
where: short stacking energy: -166.502
Base-Backbone interact. energy: 0.427
local terms energy: -172.827338
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -495.606958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.606958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.606958 (E_RNA)
where:
Base-Base interactions energy: -321.716
where: short stacking energy: -163.511
Base-Backbone interact. energy: -0.346
local terms energy: -173.544929
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -46.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -417.404967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.404967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.404967 (E_RNA)
where:
Base-Base interactions energy: -264.219
where: short stacking energy: -148.113
Base-Backbone interact. energy: -0.443
local terms energy: -152.742186
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -37.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -356.495491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.495491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.495491 (E_RNA)
where:
Base-Base interactions energy: -214.399
where: short stacking energy: -101.179
Base-Backbone interact. energy: -0.297
local terms energy: -141.799638
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -320.529825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.529825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.529825 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -92.751
Base-Backbone interact. energy: -0.709
local terms energy: -130.793822
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -316.597881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.597881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.597881 (E_RNA)
where:
Base-Base interactions energy: -188.780
where: short stacking energy: -84.283
Base-Backbone interact. energy: -1.227
local terms energy: -126.590515
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -272.372099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.372099 (E_RNA)
where:
Base-Base interactions energy: -154.643
where: short stacking energy: -70.059
Base-Backbone interact. energy: 1.300
local terms energy: -119.029353
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -159.543628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.543628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.543628 (E_RNA)
where:
Base-Base interactions energy: -52.560
where: short stacking energy: -48.938
Base-Backbone interact. energy: 0.847
local terms energy: -107.831542
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -584.969024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.969024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.969024 (E_RNA)
where:
Base-Base interactions energy: -377.903
where: short stacking energy: -180.127
Base-Backbone interact. energy: 0.988
local terms energy: -208.054297
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -59.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -530.104211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.104211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.104211 (E_RNA)
where:
Base-Base interactions energy: -343.053
where: short stacking energy: -170.498
Base-Backbone interact. energy: -0.974
local terms energy: -186.076976
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -43.725
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -51.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -533.715736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.715736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.715736 (E_RNA)
where:
Base-Base interactions energy: -354.418
where: short stacking energy: -166.941
Base-Backbone interact. energy: -0.084
local terms energy: -179.213655
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -52.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -512.610021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.610021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.610021 (E_RNA)
where:
Base-Base interactions energy: -327.287
where: short stacking energy: -166.481
Base-Backbone interact. energy: -0.074
local terms energy: -185.248363
where:
bonds (distance) C4'-P energy: -34.698
bonds (distance) P-C4' energy: -34.111
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -51.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -441.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.405220 (E_RNA)
where:
Base-Base interactions energy: -289.746
where: short stacking energy: -134.105
Base-Backbone interact. energy: -0.022
local terms energy: -151.637847
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -367.094822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.094822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.094822 (E_RNA)
where:
Base-Base interactions energy: -225.330
where: short stacking energy: -115.812
Base-Backbone interact. energy: 0.394
local terms energy: -142.159320
where:
bonds (distance) C4'-P energy: -33.331
bonds (distance) P-C4' energy: -29.854
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -30.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -321.325519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.325519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.325519 (E_RNA)
where:
Base-Base interactions energy: -207.211
where: short stacking energy: -105.518
Base-Backbone interact. energy: -0.680
local terms energy: -113.434466
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -306.690118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.690118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.690118 (E_RNA)
where:
Base-Base interactions energy: -165.466
where: short stacking energy: -80.578
Base-Backbone interact. energy: 0.540
local terms energy: -141.763402
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -30.704
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -302.130732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.130732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.130732 (E_RNA)
where:
Base-Base interactions energy: -168.353
where: short stacking energy: -83.186
Base-Backbone interact. energy: -3.031
local terms energy: -130.746336
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -167.271807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.271807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.271807 (E_RNA)
where:
Base-Base interactions energy: -78.545
where: short stacking energy: -43.033
Base-Backbone interact. energy: 0.572
local terms energy: -89.298943
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: 2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -583.086121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.086121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.086121 (E_RNA)
where:
Base-Base interactions energy: -382.520
where: short stacking energy: -188.055
Base-Backbone interact. energy: -0.274
local terms energy: -200.291996
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -61.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -512.627084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.627084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.627084 (E_RNA)
where:
Base-Base interactions energy: -334.339
where: short stacking energy: -145.621
Base-Backbone interact. energy: -0.088
local terms energy: -178.200305
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -37.715
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -43.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -513.503993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.503993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.503993 (E_RNA)
where:
Base-Base interactions energy: -346.598
where: short stacking energy: -166.149
Base-Backbone interact. energy: -0.844
local terms energy: -166.061788
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -40.447
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -46.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -486.797053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.797053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.797053 (E_RNA)
where:
Base-Base interactions energy: -317.286
where: short stacking energy: -155.002
Base-Backbone interact. energy: -0.774
local terms energy: -168.736989
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -33.477
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: -43.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -436.997628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.997628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.997628 (E_RNA)
where:
Base-Base interactions energy: -273.418
where: short stacking energy: -131.490
Base-Backbone interact. energy: 2.949
local terms energy: -166.528771
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -37.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -363.710487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.710487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.710487 (E_RNA)
where:
Base-Base interactions energy: -213.554
where: short stacking energy: -101.409
Base-Backbone interact. energy: 1.065
local terms energy: -151.221759
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -337.704224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.704224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.704224 (E_RNA)
where:
Base-Base interactions energy: -189.703
where: short stacking energy: -100.736
Base-Backbone interact. energy: -0.417
local terms energy: -147.584322
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -313.826055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.826055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.826055 (E_RNA)
where:
Base-Base interactions energy: -178.333
where: short stacking energy: -92.903
Base-Backbone interact. energy: -0.595
local terms energy: -134.898058
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -291.812733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.812733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.812733 (E_RNA)
where:
Base-Base interactions energy: -170.373
where: short stacking energy: -87.930
Base-Backbone interact. energy: -0.422
local terms energy: -121.017470
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -171.263290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.263290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.263290 (E_RNA)
where:
Base-Base interactions energy: -60.979
where: short stacking energy: -41.193
Base-Backbone interact. energy: -0.135
local terms energy: -110.148757
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: 2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -580.840672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.840672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.840672 (E_RNA)
where:
Base-Base interactions energy: -374.582
where: short stacking energy: -187.473
Base-Backbone interact. energy: -0.344
local terms energy: -205.915145
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -43.803
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -59.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -514.255169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.255169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.255169 (E_RNA)
where:
Base-Base interactions energy: -334.549
where: short stacking energy: -151.127
Base-Backbone interact. energy: 1.241
local terms energy: -180.947116
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -503.199892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.199892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.199892 (E_RNA)
where:
Base-Base interactions energy: -337.551
where: short stacking energy: -161.399
Base-Backbone interact. energy: -0.496
local terms energy: -165.152876
where:
bonds (distance) C4'-P energy: -26.476
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -45.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -493.155584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.155584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.155584 (E_RNA)
where:
Base-Base interactions energy: -314.415
where: short stacking energy: -160.747
Base-Backbone interact. energy: -0.168
local terms energy: -178.572161
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: -49.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -410.013531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.013531 (E_RNA)
where:
Base-Base interactions energy: -254.206
where: short stacking energy: -102.372
Base-Backbone interact. energy: 0.703
local terms energy: -156.511028
where:
bonds (distance) C4'-P energy: -35.733
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -374.239970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.239970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.239970 (E_RNA)
where:
Base-Base interactions energy: -223.645
where: short stacking energy: -100.737
Base-Backbone interact. energy: -0.422
local terms energy: -150.172791
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -35.292
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -330.543685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.543685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.543685 (E_RNA)
where:
Base-Base interactions energy: -194.472
where: short stacking energy: -101.587
Base-Backbone interact. energy: -0.850
local terms energy: -135.221810
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -320.807463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.807463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.807463 (E_RNA)
where:
Base-Base interactions energy: -200.785
where: short stacking energy: -103.759
Base-Backbone interact. energy: -0.121
local terms energy: -119.901086
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -303.458012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.458012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.458012 (E_RNA)
where:
Base-Base interactions energy: -172.363
where: short stacking energy: -84.332
Base-Backbone interact. energy: -2.401
local terms energy: -128.694594
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -179.999520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999520 (E_RNA)
where:
Base-Base interactions energy: -70.462
where: short stacking energy: -46.666
Base-Backbone interact. energy: -0.435
local terms energy: -109.102573
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -589.260796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.260796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.260796 (E_RNA)
where:
Base-Base interactions energy: -392.343
where: short stacking energy: -189.722
Base-Backbone interact. energy: -0.004
local terms energy: -196.913681
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -57.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -532.773093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.773093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.773093 (E_RNA)
where:
Base-Base interactions energy: -358.040
where: short stacking energy: -169.696
Base-Backbone interact. energy: -0.318
local terms energy: -174.415139
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -487.681773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.681773 (E_RNA)
where:
Base-Base interactions energy: -325.929
where: short stacking energy: -151.974
Base-Backbone interact. energy: -1.256
local terms energy: -160.496943
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -42.944
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -47.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -483.984695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.984695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.984695 (E_RNA)
where:
Base-Base interactions energy: -308.327
where: short stacking energy: -154.833
Base-Backbone interact. energy: -0.330
local terms energy: -175.327204
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -42.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -452.468106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.468106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.468106 (E_RNA)
where:
Base-Base interactions energy: -296.526
where: short stacking energy: -121.897
Base-Backbone interact. energy: 2.195
local terms energy: -158.136300
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -367.992457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.992457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.992457 (E_RNA)
where:
Base-Base interactions energy: -214.779
where: short stacking energy: -109.313
Base-Backbone interact. energy: 1.067
local terms energy: -154.281263
where:
bonds (distance) C4'-P energy: -34.692
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -30.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -336.371219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.371219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.371219 (E_RNA)
where:
Base-Base interactions energy: -200.430
where: short stacking energy: -99.682
Base-Backbone interact. energy: -0.270
local terms energy: -135.671289
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -300.314968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.314968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.314968 (E_RNA)
where:
Base-Base interactions energy: -167.638
where: short stacking energy: -86.559
Base-Backbone interact. energy: -0.927
local terms energy: -131.750806
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -300.155298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.155298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.155298 (E_RNA)
where:
Base-Base interactions energy: -186.643
where: short stacking energy: -95.493
Base-Backbone interact. energy: 0.132
local terms energy: -113.644785
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -152.347605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.347605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.347605 (E_RNA)
where:
Base-Base interactions energy: -55.548
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.546
local terms energy: -96.252945
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -591.153500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.153500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.153500 (E_RNA)
where:
Base-Base interactions energy: -383.753
where: short stacking energy: -191.045
Base-Backbone interact. energy: -0.641
local terms energy: -206.758640
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -42.271
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -59.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -539.795741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.795741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.795741 (E_RNA)
where:
Base-Base interactions energy: -348.066
where: short stacking energy: -157.391
Base-Backbone interact. energy: -0.628
local terms energy: -191.101968
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -504.264271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.264271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.264271 (E_RNA)
where:
Base-Base interactions energy: -334.042
where: short stacking energy: -155.052
Base-Backbone interact. energy: -0.186
local terms energy: -170.036208
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -33.813
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -445.066811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.066811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.066811 (E_RNA)
where:
Base-Base interactions energy: -292.824
where: short stacking energy: -138.679
Base-Backbone interact. energy: -0.517
local terms energy: -151.725643
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -437.986774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.986774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.986774 (E_RNA)
where:
Base-Base interactions energy: -283.609
where: short stacking energy: -112.969
Base-Backbone interact. energy: 1.273
local terms energy: -155.651739
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -378.364668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.364668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.364668 (E_RNA)
where:
Base-Base interactions energy: -228.011
where: short stacking energy: -112.810
Base-Backbone interact. energy: -0.139
local terms energy: -150.214704
where:
bonds (distance) C4'-P energy: -34.081
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -36.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -332.281040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.281040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.281040 (E_RNA)
where:
Base-Base interactions energy: -187.996
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.632
local terms energy: -143.653430
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -334.668984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.668984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.668984 (E_RNA)
where:
Base-Base interactions energy: -196.295
where: short stacking energy: -103.971
Base-Backbone interact. energy: -0.027
local terms energy: -138.346796
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -289.358665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.358665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.358665 (E_RNA)
where:
Base-Base interactions energy: -174.654
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.725
local terms energy: -113.980138
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -155.832495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.832495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.832495 (E_RNA)
where:
Base-Base interactions energy: -48.788
where: short stacking energy: -41.965
Base-Backbone interact. energy: -0.175
local terms energy: -106.869252
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -33.346
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -586.988661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.988661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.988661 (E_RNA)
where:
Base-Base interactions energy: -391.872
where: short stacking energy: -200.728
Base-Backbone interact. energy: -0.029
local terms energy: -195.086709
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -62.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -524.773183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.773183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.773183 (E_RNA)
where:
Base-Base interactions energy: -353.883
where: short stacking energy: -159.506
Base-Backbone interact. energy: -0.435
local terms energy: -170.454992
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -450.029180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.029180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.029180 (E_RNA)
where:
Base-Base interactions energy: -278.313
where: short stacking energy: -134.702
Base-Backbone interact. energy: -0.936
local terms energy: -170.779882
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -38.284
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -472.561321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.561321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.561321 (E_RNA)
where:
Base-Base interactions energy: -304.202
where: short stacking energy: -142.739
Base-Backbone interact. energy: -0.286
local terms energy: -168.074050
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -40.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -432.637627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.637627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.637627 (E_RNA)
where:
Base-Base interactions energy: -275.978
where: short stacking energy: -137.425
Base-Backbone interact. energy: 0.393
local terms energy: -157.053212
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -37.911
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -33.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -388.427063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.427063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.427063 (E_RNA)
where:
Base-Base interactions energy: -244.581
where: short stacking energy: -107.266
Base-Backbone interact. energy: 0.869
local terms energy: -144.714232
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -33.025
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -324.570066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.570066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.570066 (E_RNA)
where:
Base-Base interactions energy: -191.200
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.237
local terms energy: -133.132520
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -310.641824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.641824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.641824 (E_RNA)
where:
Base-Base interactions energy: -181.303
where: short stacking energy: -103.456
Base-Backbone interact. energy: -0.471
local terms energy: -128.867984
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -298.383240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.383240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.383240 (E_RNA)
where:
Base-Base interactions energy: -178.491
where: short stacking energy: -75.513
Base-Backbone interact. energy: -0.261
local terms energy: -119.631360
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -150.063021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.063021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.063021 (E_RNA)
where:
Base-Base interactions energy: -52.044
where: short stacking energy: -50.479
Base-Backbone interact. energy: 3.780
local terms energy: -101.799335
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -573.039356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.039356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.039356 (E_RNA)
where:
Base-Base interactions energy: -385.512
where: short stacking energy: -195.216
Base-Backbone interact. energy: -0.196
local terms energy: -187.331409
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -515.567183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.567183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.567183 (E_RNA)
where:
Base-Base interactions energy: -333.504
where: short stacking energy: -148.400
Base-Backbone interact. energy: -0.217
local terms energy: -181.846971
where:
bonds (distance) C4'-P energy: -34.512
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -46.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -452.429473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.429473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.429473 (E_RNA)
where:
Base-Base interactions energy: -284.098
where: short stacking energy: -134.912
Base-Backbone interact. energy: -0.089
local terms energy: -168.241897
where:
bonds (distance) C4'-P energy: -35.352
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -38.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -450.354471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.354471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.354471 (E_RNA)
where:
Base-Base interactions energy: -277.148
where: short stacking energy: -139.198
Base-Backbone interact. energy: 0.138
local terms energy: -173.343532
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -43.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -417.656082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.656082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.656082 (E_RNA)
where:
Base-Base interactions energy: -266.085
where: short stacking energy: -133.315
Base-Backbone interact. energy: -1.347
local terms energy: -150.223739
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -35.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -377.143551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.143551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.143551 (E_RNA)
where:
Base-Base interactions energy: -230.676
where: short stacking energy: -110.533
Base-Backbone interact. energy: 0.944
local terms energy: -147.412053
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -37.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -325.783616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.783616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.783616 (E_RNA)
where:
Base-Base interactions energy: -190.442
where: short stacking energy: -98.855
Base-Backbone interact. energy: 1.658
local terms energy: -136.999293
where:
bonds (distance) C4'-P energy: -32.393
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -327.853302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.853302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.853302 (E_RNA)
where:
Base-Base interactions energy: -194.635
where: short stacking energy: -105.055
Base-Backbone interact. energy: 1.315
local terms energy: -134.533906
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -291.127360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.127360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.127360 (E_RNA)
where:
Base-Base interactions energy: -190.832
where: short stacking energy: -95.502
Base-Backbone interact. energy: -0.320
local terms energy: -99.975635
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -152.033714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.033714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.033714 (E_RNA)
where:
Base-Base interactions energy: -50.866
where: short stacking energy: -49.869
Base-Backbone interact. energy: 0.249
local terms energy: -101.416189
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -572.036889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.036889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.036889 (E_RNA)
where:
Base-Base interactions energy: -371.100
where: short stacking energy: -187.787
Base-Backbone interact. energy: -0.060
local terms energy: -200.877471
where:
bonds (distance) C4'-P energy: -35.797
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -30.269
tors. eta vs tors. theta energy: -62.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -550.956222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.956222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.956222 (E_RNA)
where:
Base-Base interactions energy: -371.476
where: short stacking energy: -178.487
Base-Backbone interact. energy: -0.103
local terms energy: -179.377185
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -54.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -477.929130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.929130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.929130 (E_RNA)
where:
Base-Base interactions energy: -293.517
where: short stacking energy: -153.742
Base-Backbone interact. energy: -0.298
local terms energy: -184.114429
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -44.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -450.424067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.424067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.424067 (E_RNA)
where:
Base-Base interactions energy: -286.057
where: short stacking energy: -146.718
Base-Backbone interact. energy: -0.073
local terms energy: -164.293216
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -40.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -413.043533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.043533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.043533 (E_RNA)
where:
Base-Base interactions energy: -269.140
where: short stacking energy: -127.174
Base-Backbone interact. energy: 0.508
local terms energy: -144.411539
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -362.169361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.169361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.169361 (E_RNA)
where:
Base-Base interactions energy: -221.537
where: short stacking energy: -107.976
Base-Backbone interact. energy: -0.272
local terms energy: -140.360067
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -341.959275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.959275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.959275 (E_RNA)
where:
Base-Base interactions energy: -194.409
where: short stacking energy: -92.751
Base-Backbone interact. energy: -0.279
local terms energy: -147.271807
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -323.267150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.267150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.267150 (E_RNA)
where:
Base-Base interactions energy: -177.401
where: short stacking energy: -92.359
Base-Backbone interact. energy: 0.592
local terms energy: -146.458243
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -309.137633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.137633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.137633 (E_RNA)
where:
Base-Base interactions energy: -185.523
where: short stacking energy: -75.322
Base-Backbone interact. energy: 0.940
local terms energy: -124.554647
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -161.994363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.994363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.994363 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -45.400
Base-Backbone interact. energy: -0.747
local terms energy: -113.014233
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -581.755798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.755798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.755798 (E_RNA)
where:
Base-Base interactions energy: -383.611
where: short stacking energy: -179.991
Base-Backbone interact. energy: 0.140
local terms energy: -198.284296
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -56.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -548.226208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.226208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.226208 (E_RNA)
where:
Base-Base interactions energy: -352.587
where: short stacking energy: -171.893
Base-Backbone interact. energy: -0.175
local terms energy: -195.464030
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -57.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -488.942495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.942495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.942495 (E_RNA)
where:
Base-Base interactions energy: -292.726
where: short stacking energy: -152.624
Base-Backbone interact. energy: -0.792
local terms energy: -195.423510
where:
bonds (distance) C4'-P energy: -37.909
bonds (distance) P-C4' energy: -36.245
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -51.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -439.896508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.896508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.896508 (E_RNA)
where:
Base-Base interactions energy: -278.197
where: short stacking energy: -134.422
Base-Backbone interact. energy: -0.659
local terms energy: -161.040486
where:
bonds (distance) C4'-P energy: -25.967
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -41.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -420.521797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.521797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.521797 (E_RNA)
where:
Base-Base interactions energy: -280.569
where: short stacking energy: -129.095
Base-Backbone interact. energy: -0.581
local terms energy: -139.371720
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -31.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -370.286933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.286933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.286933 (E_RNA)
where:
Base-Base interactions energy: -225.000
where: short stacking energy: -111.854
Base-Backbone interact. energy: -0.152
local terms energy: -145.134751
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -355.210998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.210998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.210998 (E_RNA)
where:
Base-Base interactions energy: -212.876
where: short stacking energy: -97.533
Base-Backbone interact. energy: -0.090
local terms energy: -142.245537
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -36.933
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -297.524118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.524118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.524118 (E_RNA)
where:
Base-Base interactions energy: -180.654
where: short stacking energy: -91.177
Base-Backbone interact. energy: -0.448
local terms energy: -116.422342
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -309.248777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.248777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.248777 (E_RNA)
where:
Base-Base interactions energy: -178.676
where: short stacking energy: -84.506
Base-Backbone interact. energy: -0.483
local terms energy: -130.089705
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -167.401407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.401407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.401407 (E_RNA)
where:
Base-Base interactions energy: -62.968
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.582
local terms energy: -103.850913
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: 5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -567.148880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.148880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.148880 (E_RNA)
where:
Base-Base interactions energy: -371.137
where: short stacking energy: -183.183
Base-Backbone interact. energy: -0.105
local terms energy: -195.906860
where:
bonds (distance) C4'-P energy: -36.294
bonds (distance) P-C4' energy: -39.274
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -54.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -567.006054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.006054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.006054 (E_RNA)
where:
Base-Base interactions energy: -376.848
where: short stacking energy: -184.606
Base-Backbone interact. energy: -0.177
local terms energy: -189.981064
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -491.056265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.056265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.056265 (E_RNA)
where:
Base-Base interactions energy: -307.668
where: short stacking energy: -164.662
Base-Backbone interact. energy: 1.111
local terms energy: -184.499760
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: -47.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -416.872140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.872140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.872140 (E_RNA)
where:
Base-Base interactions energy: -249.665
where: short stacking energy: -133.654
Base-Backbone interact. energy: -0.278
local terms energy: -166.929239
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -41.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -444.885191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.885191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.885191 (E_RNA)
where:
Base-Base interactions energy: -291.991
where: short stacking energy: -135.870
Base-Backbone interact. energy: -0.765
local terms energy: -152.129524
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -362.565521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.565521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.565521 (E_RNA)
where:
Base-Base interactions energy: -219.760
where: short stacking energy: -112.480
Base-Backbone interact. energy: -1.485
local terms energy: -141.321401
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -38.476
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -326.074367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.074367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.074367 (E_RNA)
where:
Base-Base interactions energy: -195.604
where: short stacking energy: -105.478
Base-Backbone interact. energy: -0.205
local terms energy: -130.265214
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -321.599482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.599482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.599482 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -91.410
Base-Backbone interact. energy: 0.399
local terms energy: -137.493093
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -297.805223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.805223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.805223 (E_RNA)
where:
Base-Base interactions energy: -162.978
where: short stacking energy: -76.078
Base-Backbone interact. energy: -2.018
local terms energy: -132.808639
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -166.101677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.101677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.101677 (E_RNA)
where:
Base-Base interactions energy: -59.043
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.680
local terms energy: -106.378896
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -558.997590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.997590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.997590 (E_RNA)
where:
Base-Base interactions energy: -363.401
where: short stacking energy: -168.813
Base-Backbone interact. energy: 0.108
local terms energy: -195.704026
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -40.402
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -54.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -559.473535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.473535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.473535 (E_RNA)
where:
Base-Base interactions energy: -363.330
where: short stacking energy: -182.602
Base-Backbone interact. energy: 0.990
local terms energy: -197.133574
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -38.694
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: -55.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -477.707252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.707252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.707252 (E_RNA)
where:
Base-Base interactions energy: -296.053
where: short stacking energy: -142.785
Base-Backbone interact. energy: -0.017
local terms energy: -181.637382
where:
bonds (distance) C4'-P energy: -39.105
bonds (distance) P-C4' energy: -32.954
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -43.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -466.321317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.321317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.321317 (E_RNA)
where:
Base-Base interactions energy: -298.079
where: short stacking energy: -148.716
Base-Backbone interact. energy: -0.455
local terms energy: -167.787453
where:
bonds (distance) C4'-P energy: -36.682
bonds (distance) P-C4' energy: -37.019
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -40.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -445.901166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.901166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.901166 (E_RNA)
where:
Base-Base interactions energy: -281.020
where: short stacking energy: -141.686
Base-Backbone interact. energy: -0.064
local terms energy: -164.817294
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -44.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -401.938250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.938250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.938250 (E_RNA)
where:
Base-Base interactions energy: -235.525
where: short stacking energy: -104.087
Base-Backbone interact. energy: -0.585
local terms energy: -165.828163
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -310.992679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.992679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.992679 (E_RNA)
where:
Base-Base interactions energy: -174.391
where: short stacking energy: -83.386
Base-Backbone interact. energy: -0.413
local terms energy: -136.188884
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -301.092151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.092151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.092151 (E_RNA)
where:
Base-Base interactions energy: -174.357
where: short stacking energy: -87.969
Base-Backbone interact. energy: -0.340
local terms energy: -126.395709
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -308.250771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.250771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.250771 (E_RNA)
where:
Base-Base interactions energy: -185.025
where: short stacking energy: -100.405
Base-Backbone interact. energy: -0.230
local terms energy: -122.995383
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -158.667973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.667973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.667973 (E_RNA)
where:
Base-Base interactions energy: -64.779
where: short stacking energy: -49.963
Base-Backbone interact. energy: 2.860
local terms energy: -96.748044
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: 5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -575.546206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.546206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.546206 (E_RNA)
where:
Base-Base interactions energy: -379.003
where: short stacking energy: -187.374
Base-Backbone interact. energy: -0.339
local terms energy: -196.203864
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -537.985981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.985981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.985981 (E_RNA)
where:
Base-Base interactions energy: -350.334
where: short stacking energy: -158.343
Base-Backbone interact. energy: -0.395
local terms energy: -187.256786
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -52.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -483.208143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.208143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.208143 (E_RNA)
where:
Base-Base interactions energy: -295.777
where: short stacking energy: -156.229
Base-Backbone interact. energy: -0.325
local terms energy: -187.106141
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -40.684
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -50.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -466.045470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.045470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.045470 (E_RNA)
where:
Base-Base interactions energy: -301.073
where: short stacking energy: -148.343
Base-Backbone interact. energy: -0.626
local terms energy: -164.346828
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: -38.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -435.324163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.324163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.324163 (E_RNA)
where:
Base-Base interactions energy: -279.266
where: short stacking energy: -132.582
Base-Backbone interact. energy: -0.616
local terms energy: -155.442133
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -404.701879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.701879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.701879 (E_RNA)
where:
Base-Base interactions energy: -267.350
where: short stacking energy: -139.170
Base-Backbone interact. energy: -0.206
local terms energy: -137.145611
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -327.023067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.023067 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -96.211
Base-Backbone interact. energy: 0.678
local terms energy: -144.335023
where:
bonds (distance) C4'-P energy: -33.043
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -315.376924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.376924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.376924 (E_RNA)
where:
Base-Base interactions energy: -189.954
where: short stacking energy: -93.064
Base-Backbone interact. energy: -0.762
local terms energy: -124.660155
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -307.907687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.907687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.907687 (E_RNA)
where:
Base-Base interactions energy: -175.515
where: short stacking energy: -90.125
Base-Backbone interact. energy: 1.142
local terms energy: -133.535391
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -155.185093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.185093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.185093 (E_RNA)
where:
Base-Base interactions energy: -56.217
where: short stacking energy: -52.423
Base-Backbone interact. energy: 1.876
local terms energy: -100.843742
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: 0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -584.193978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.193978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.193978 (E_RNA)
where:
Base-Base interactions energy: -380.494
where: short stacking energy: -184.343
Base-Backbone interact. energy: -0.033
local terms energy: -203.666908
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -60.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -539.791526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.791526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.791526 (E_RNA)
where:
Base-Base interactions energy: -356.757
where: short stacking energy: -165.498
Base-Backbone interact. energy: -0.390
local terms energy: -182.644688
where:
bonds (distance) C4'-P energy: -30.861
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -48.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -503.907143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.907143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.907143 (E_RNA)
where:
Base-Base interactions energy: -314.108
where: short stacking energy: -157.996
Base-Backbone interact. energy: -1.536
local terms energy: -188.263689
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -33.236
tors. eta vs tors. theta energy: -52.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -446.056137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.056137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.056137 (E_RNA)
where:
Base-Base interactions energy: -281.173
where: short stacking energy: -144.324
Base-Backbone interact. energy: -0.272
local terms energy: -164.611217
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -425.050343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.050343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.050343 (E_RNA)
where:
Base-Base interactions energy: -276.217
where: short stacking energy: -131.437
Base-Backbone interact. energy: 3.088
local terms energy: -151.921512
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -34.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -405.790267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.790267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.790267 (E_RNA)
where:
Base-Base interactions energy: -245.534
where: short stacking energy: -123.774
Base-Backbone interact. energy: -0.250
local terms energy: -160.006646
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -42.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -326.288671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.288671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.288671 (E_RNA)
where:
Base-Base interactions energy: -189.237
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.402
local terms energy: -136.649440
where:
bonds (distance) C4'-P energy: -28.897
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -28.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -313.797427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.797427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.797427 (E_RNA)
where:
Base-Base interactions energy: -180.817
where: short stacking energy: -93.962
Base-Backbone interact. energy: -0.219
local terms energy: -132.761106
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -291.230181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.230181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.230181 (E_RNA)
where:
Base-Base interactions energy: -168.448
where: short stacking energy: -75.261
Base-Backbone interact. energy: -0.757
local terms energy: -122.024752
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -166.897269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.897269 (E_RNA)
where:
Base-Base interactions energy: -64.108
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.173
local terms energy: -102.616257
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -588.834613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.834613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.834613 (E_RNA)
where:
Base-Base interactions energy: -375.609
where: short stacking energy: -188.362
Base-Backbone interact. energy: 0.188
local terms energy: -213.414367
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -61.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -536.122673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.122673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.122673 (E_RNA)
where:
Base-Base interactions energy: -353.578
where: short stacking energy: -174.140
Base-Backbone interact. energy: 0.269
local terms energy: -182.813392
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -55.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -519.534218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.534218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.534218 (E_RNA)
where:
Base-Base interactions energy: -337.558
where: short stacking energy: -170.793
Base-Backbone interact. energy: 1.057
local terms energy: -183.033503
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -443.342152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.342152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.342152 (E_RNA)
where:
Base-Base interactions energy: -274.581
where: short stacking energy: -134.824
Base-Backbone interact. energy: 0.313
local terms energy: -169.074151
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -421.479226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.479226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.479226 (E_RNA)
where:
Base-Base interactions energy: -252.769
where: short stacking energy: -127.814
Base-Backbone interact. energy: -1.281
local terms energy: -167.429115
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -43.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -411.934498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.934498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.934498 (E_RNA)
where:
Base-Base interactions energy: -264.831
where: short stacking energy: -111.246
Base-Backbone interact. energy: -2.646
local terms energy: -144.457595
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -31.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -313.545227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.545227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.545227 (E_RNA)
where:
Base-Base interactions energy: -198.076
where: short stacking energy: -88.357
Base-Backbone interact. energy: -0.813
local terms energy: -114.656502
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -337.013081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.013081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.013081 (E_RNA)
where:
Base-Base interactions energy: -201.984
where: short stacking energy: -110.499
Base-Backbone interact. energy: 0.381
local terms energy: -135.409971
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -311.804720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.804720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.804720 (E_RNA)
where:
Base-Base interactions energy: -184.501
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.685
local terms energy: -126.618445
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -172.958590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.958590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.958590 (E_RNA)
where:
Base-Base interactions energy: -84.262
where: short stacking energy: -45.107
Base-Backbone interact. energy: 0.984
local terms energy: -89.680691
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: 6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -583.553192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.553192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.553192 (E_RNA)
where:
Base-Base interactions energy: -394.247
where: short stacking energy: -190.642
Base-Backbone interact. energy: -0.020
local terms energy: -189.286662
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -40.391
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -59.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -529.773669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.773669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.773669 (E_RNA)
where:
Base-Base interactions energy: -345.327
where: short stacking energy: -179.808
Base-Backbone interact. energy: -0.195
local terms energy: -184.251959
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -37.589
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -53.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -538.107745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.107745 (E_RNA)
where:
Base-Base interactions energy: -353.724
where: short stacking energy: -160.648
Base-Backbone interact. energy: -0.644
local terms energy: -183.739866
where:
bonds (distance) C4'-P energy: -36.177
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -23.915
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -456.049769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.049769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.049769 (E_RNA)
where:
Base-Base interactions energy: -291.497
where: short stacking energy: -148.609
Base-Backbone interact. energy: -1.216
local terms energy: -163.336849
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -405.571034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.571034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.571034 (E_RNA)
where:
Base-Base interactions energy: -249.400
where: short stacking energy: -120.300
Base-Backbone interact. energy: -0.315
local terms energy: -155.855524
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -407.399854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.399854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.399854 (E_RNA)
where:
Base-Base interactions energy: -279.302
where: short stacking energy: -107.482
Base-Backbone interact. energy: 0.993
local terms energy: -129.090592
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -325.137236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.137236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.137236 (E_RNA)
where:
Base-Base interactions energy: -197.530
where: short stacking energy: -103.480
Base-Backbone interact. energy: 1.505
local terms energy: -129.111808
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -339.245814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.245814 (E_RNA)
where:
Base-Base interactions energy: -208.266
where: short stacking energy: -95.865
Base-Backbone interact. energy: -0.859
local terms energy: -130.120794
where:
bonds (distance) C4'-P energy: -35.990
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -316.372271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372271 (E_RNA)
where:
Base-Base interactions energy: -186.497
where: short stacking energy: -102.415
Base-Backbone interact. energy: -0.540
local terms energy: -129.335512
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -152.579868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.579868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.579868 (E_RNA)
where:
Base-Base interactions energy: -50.598
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.258
local terms energy: -101.723868
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -580.189599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.189599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.189599 (E_RNA)
where:
Base-Base interactions energy: -376.919
where: short stacking energy: -175.567
Base-Backbone interact. energy: -0.017
local terms energy: -203.253445
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -41.478
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -58.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -538.661190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.661190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.661190 (E_RNA)
where:
Base-Base interactions energy: -346.407
where: short stacking energy: -176.577
Base-Backbone interact. energy: -0.114
local terms energy: -192.140275
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -55.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -518.397936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.397936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.397936 (E_RNA)
where:
Base-Base interactions energy: -340.597
where: short stacking energy: -160.520
Base-Backbone interact. energy: -0.104
local terms energy: -177.697124
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -50.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -475.854392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.854392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.854392 (E_RNA)
where:
Base-Base interactions energy: -305.498
where: short stacking energy: -153.307
Base-Backbone interact. energy: -0.336
local terms energy: -170.020455
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -44.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -404.530040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.530040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.530040 (E_RNA)
where:
Base-Base interactions energy: -254.706
where: short stacking energy: -124.552
Base-Backbone interact. energy: 0.361
local terms energy: -150.185664
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -403.862358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.862358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.862358 (E_RNA)
where:
Base-Base interactions energy: -254.697
where: short stacking energy: -134.279
Base-Backbone interact. energy: 0.107
local terms energy: -149.272739
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -36.830
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -365.112211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.112211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.112211 (E_RNA)
where:
Base-Base interactions energy: -228.170
where: short stacking energy: -108.556
Base-Backbone interact. energy: -1.385
local terms energy: -135.556682
where:
bonds (distance) C4'-P energy: -34.170
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -317.868990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.868990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.868990 (E_RNA)
where:
Base-Base interactions energy: -182.283
where: short stacking energy: -100.070
Base-Backbone interact. energy: 1.528
local terms energy: -137.113850
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -301.706327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.706327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.706327 (E_RNA)
where:
Base-Base interactions energy: -172.276
where: short stacking energy: -87.653
Base-Backbone interact. energy: 0.544
local terms energy: -129.974216
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -167.167472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.167472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.167472 (E_RNA)
where:
Base-Base interactions energy: -50.988
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.741
local terms energy: -115.438521
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -41.421
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -581.161520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.161520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.161520 (E_RNA)
where:
Base-Base interactions energy: -381.002
where: short stacking energy: -192.047
Base-Backbone interact. energy: -0.040
local terms energy: -200.119860
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -43.322
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -57.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -532.850428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.850428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.850428 (E_RNA)
where:
Base-Base interactions energy: -328.690
where: short stacking energy: -159.473
Base-Backbone interact. energy: -0.084
local terms energy: -204.076755
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -38.115
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -534.035853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.035853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.035853 (E_RNA)
where:
Base-Base interactions energy: -350.281
where: short stacking energy: -148.611
Base-Backbone interact. energy: 0.822
local terms energy: -184.576558
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -52.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -465.850693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.850693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.850693 (E_RNA)
where:
Base-Base interactions energy: -299.104
where: short stacking energy: -152.761
Base-Backbone interact. energy: -0.214
local terms energy: -166.531794
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -418.657192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.657192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.657192 (E_RNA)
where:
Base-Base interactions energy: -274.896
where: short stacking energy: -130.584
Base-Backbone interact. energy: -0.325
local terms energy: -143.435535
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -345.029555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.029555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.029555 (E_RNA)
where:
Base-Base interactions energy: -194.323
where: short stacking energy: -103.951
Base-Backbone interact. energy: -0.768
local terms energy: -149.938410
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -35.514
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -28.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -366.045975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.045975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.045975 (E_RNA)
where:
Base-Base interactions energy: -220.083
where: short stacking energy: -107.105
Base-Backbone interact. energy: -0.532
local terms energy: -145.431546
where:
bonds (distance) C4'-P energy: -35.597
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -334.373148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.373148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.373148 (E_RNA)
where:
Base-Base interactions energy: -192.317
where: short stacking energy: -99.277
Base-Backbone interact. energy: -0.354
local terms energy: -141.701649
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -37.973
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -283.596627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.596627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.596627 (E_RNA)
where:
Base-Base interactions energy: -157.468
where: short stacking energy: -82.664
Base-Backbone interact. energy: -0.199
local terms energy: -125.929848
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -168.134153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.134153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.134153 (E_RNA)
where:
Base-Base interactions energy: -68.502
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.793
local terms energy: -98.838796
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: 5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -581.738012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.738012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.738012 (E_RNA)
where:
Base-Base interactions energy: -381.059
where: short stacking energy: -191.207
Base-Backbone interact. energy: -0.044
local terms energy: -200.634614
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -42.163
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -59.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -531.138387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.138387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.138387 (E_RNA)
where:
Base-Base interactions energy: -353.645
where: short stacking energy: -175.251
Base-Backbone interact. energy: -0.204
local terms energy: -177.289408
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -35.565
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -52.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -530.849501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.849501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.849501 (E_RNA)
where:
Base-Base interactions energy: -345.145
where: short stacking energy: -167.428
Base-Backbone interact. energy: 0.023
local terms energy: -185.727957
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -51.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -472.485966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.485966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.485966 (E_RNA)
where:
Base-Base interactions energy: -300.573
where: short stacking energy: -146.140
Base-Backbone interact. energy: -0.718
local terms energy: -171.195381
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -44.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -411.434099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.434099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.434099 (E_RNA)
where:
Base-Base interactions energy: -265.251
where: short stacking energy: -119.287
Base-Backbone interact. energy: -0.825
local terms energy: -145.357861
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -29.245
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -340.415479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.415479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.415479 (E_RNA)
where:
Base-Base interactions energy: -209.366
where: short stacking energy: -108.741
Base-Backbone interact. energy: -1.209
local terms energy: -129.840138
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -339.880171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.880171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.880171 (E_RNA)
where:
Base-Base interactions energy: -205.562
where: short stacking energy: -90.848
Base-Backbone interact. energy: 0.628
local terms energy: -134.945609
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -316.807119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.807119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.807119 (E_RNA)
where:
Base-Base interactions energy: -194.359
where: short stacking energy: -102.680
Base-Backbone interact. energy: 0.171
local terms energy: -122.619339
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -24.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -320.070606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.070606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.070606 (E_RNA)
where:
Base-Base interactions energy: -186.580
where: short stacking energy: -96.431
Base-Backbone interact. energy: 0.638
local terms energy: -134.128812
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -157.663520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.663520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.663520 (E_RNA)
where:
Base-Base interactions energy: -56.856
where: short stacking energy: -53.895
Base-Backbone interact. energy: 0.547
local terms energy: -101.354894
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -577.511175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.511175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.511175 (E_RNA)
where:
Base-Base interactions energy: -380.363
where: short stacking energy: -194.804
Base-Backbone interact. energy: -0.008
local terms energy: -197.140406
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -60.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -556.439688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.439688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.439688 (E_RNA)
where:
Base-Base interactions energy: -360.496
where: short stacking energy: -175.023
Base-Backbone interact. energy: -0.125
local terms energy: -195.818358
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -522.886658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.886658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.886658 (E_RNA)
where:
Base-Base interactions energy: -347.969
where: short stacking energy: -159.793
Base-Backbone interact. energy: -1.220
local terms energy: -173.697262
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -42.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -468.618850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.618850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.618850 (E_RNA)
where:
Base-Base interactions energy: -304.950
where: short stacking energy: -143.271
Base-Backbone interact. energy: -0.642
local terms energy: -163.026523
where:
bonds (distance) C4'-P energy: -37.170
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -384.059399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.059399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.059399 (E_RNA)
where:
Base-Base interactions energy: -248.177
where: short stacking energy: -128.217
Base-Backbone interact. energy: -0.785
local terms energy: -135.096584
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -394.407102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.407102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.407102 (E_RNA)
where:
Base-Base interactions energy: -235.068
where: short stacking energy: -112.726
Base-Backbone interact. energy: -0.242
local terms energy: -159.097559
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -322.652247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.652247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.652247 (E_RNA)
where:
Base-Base interactions energy: -189.196
where: short stacking energy: -86.868
Base-Backbone interact. energy: -1.961
local terms energy: -131.495535
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -21.969
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -309.520707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.520707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.520707 (E_RNA)
where:
Base-Base interactions energy: -187.848
where: short stacking energy: -100.092
Base-Backbone interact. energy: 2.359
local terms energy: -124.031736
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -292.306294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.306294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.306294 (E_RNA)
where:
Base-Base interactions energy: -180.004
where: short stacking energy: -85.213
Base-Backbone interact. energy: -0.753
local terms energy: -111.548856
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -183.394277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.394277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.394277 (E_RNA)
where:
Base-Base interactions energy: -72.710
where: short stacking energy: -66.328
Base-Backbone interact. energy: 0.316
local terms energy: -110.999955
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -569.713279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.713279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.713279 (E_RNA)
where:
Base-Base interactions energy: -377.742
where: short stacking energy: -175.977
Base-Backbone interact. energy: 0.333
local terms energy: -192.304108
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -34.018
tors. eta vs tors. theta energy: -53.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -561.904956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.904956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.904956 (E_RNA)
where:
Base-Base interactions energy: -373.068
where: short stacking energy: -174.826
Base-Backbone interact. energy: -0.065
local terms energy: -188.771972
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -60.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -514.964238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.964238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.964238 (E_RNA)
where:
Base-Base interactions energy: -334.895
where: short stacking energy: -151.881
Base-Backbone interact. energy: -0.361
local terms energy: -179.708193
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -49.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -492.362389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.362389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.362389 (E_RNA)
where:
Base-Base interactions energy: -315.864
where: short stacking energy: -160.917
Base-Backbone interact. energy: -0.386
local terms energy: -176.112269
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -46.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -404.684549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.684549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.684549 (E_RNA)
where:
Base-Base interactions energy: -251.143
where: short stacking energy: -126.347
Base-Backbone interact. energy: -0.669
local terms energy: -152.873149
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -383.481438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.481438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.481438 (E_RNA)
where:
Base-Base interactions energy: -241.811
where: short stacking energy: -120.674
Base-Backbone interact. energy: 0.509
local terms energy: -142.179033
where:
bonds (distance) C4'-P energy: -32.398
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -28.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -327.853092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.853092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.853092 (E_RNA)
where:
Base-Base interactions energy: -178.289
where: short stacking energy: -95.861
Base-Backbone interact. energy: -0.848
local terms energy: -148.716096
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -305.703692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.703692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.703692 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -83.985
Base-Backbone interact. energy: 1.265
local terms energy: -124.442579
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -278.680771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.680771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.680771 (E_RNA)
where:
Base-Base interactions energy: -166.793
where: short stacking energy: -72.348
Base-Backbone interact. energy: 4.781
local terms energy: -116.667984
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -151.060021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.060021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.060021 (E_RNA)
where:
Base-Base interactions energy: -46.990
where: short stacking energy: -43.892
Base-Backbone interact. energy: 0.174
local terms energy: -104.244317
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: 8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -559.743753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.743753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.743753 (E_RNA)
where:
Base-Base interactions energy: -370.575
where: short stacking energy: -171.986
Base-Backbone interact. energy: -0.023
local terms energy: -189.146046
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -55.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -563.140475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.140475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.140475 (E_RNA)
where:
Base-Base interactions energy: -364.571
where: short stacking energy: -179.981
Base-Backbone interact. energy: -0.148
local terms energy: -198.421051
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -59.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -541.898424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.898424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.898424 (E_RNA)
where:
Base-Base interactions energy: -356.051
where: short stacking energy: -152.666
Base-Backbone interact. energy: -0.351
local terms energy: -185.496365
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -54.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -461.993646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.993646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.993646 (E_RNA)
where:
Base-Base interactions energy: -301.078
where: short stacking energy: -143.960
Base-Backbone interact. energy: -0.947
local terms energy: -159.968846
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -415.256118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.256118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.256118 (E_RNA)
where:
Base-Base interactions energy: -268.771
where: short stacking energy: -113.961
Base-Backbone interact. energy: -0.976
local terms energy: -145.508937
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -336.811264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.811264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.811264 (E_RNA)
where:
Base-Base interactions energy: -203.957
where: short stacking energy: -110.334
Base-Backbone interact. energy: -0.580
local terms energy: -132.274820
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -376.630212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.630212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.630212 (E_RNA)
where:
Base-Base interactions energy: -240.027
where: short stacking energy: -123.044
Base-Backbone interact. energy: 1.300
local terms energy: -137.903334
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -309.724027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.724027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.724027 (E_RNA)
where:
Base-Base interactions energy: -178.781
where: short stacking energy: -104.445
Base-Backbone interact. energy: -0.220
local terms energy: -130.723592
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -302.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.129112 (E_RNA)
where:
Base-Base interactions energy: -177.225
where: short stacking energy: -86.270
Base-Backbone interact. energy: -1.056
local terms energy: -123.848272
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -160.609472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.609472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.609472 (E_RNA)
where:
Base-Base interactions energy: -62.833
where: short stacking energy: -44.341
Base-Backbone interact. energy: 1.785
local terms energy: -99.561731
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -572.920914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.920914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.920914 (E_RNA)
where:
Base-Base interactions energy: -372.806
where: short stacking energy: -190.652
Base-Backbone interact. energy: -0.062
local terms energy: -200.052864
where:
bonds (distance) C4'-P energy: -34.684
bonds (distance) P-C4' energy: -36.972
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -59.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -532.726328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.726328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.726328 (E_RNA)
where:
Base-Base interactions energy: -343.698
where: short stacking energy: -177.186
Base-Backbone interact. energy: -0.620
local terms energy: -188.408377
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -39.053
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -56.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -540.498980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.498980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.498980 (E_RNA)
where:
Base-Base interactions energy: -356.832
where: short stacking energy: -168.619
Base-Backbone interact. energy: -0.194
local terms energy: -183.473253
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -40.778
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -53.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -450.610358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.610358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.610358 (E_RNA)
where:
Base-Base interactions energy: -293.190
where: short stacking energy: -145.117
Base-Backbone interact. energy: 3.558
local terms energy: -160.978127
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -411.318188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.318188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.318188 (E_RNA)
where:
Base-Base interactions energy: -259.899
where: short stacking energy: -126.518
Base-Backbone interact. energy: 0.204
local terms energy: -151.623271
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -30.262
flat angles C4'-P-C4' energy: -42.850
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -348.609503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.609503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.609503 (E_RNA)
where:
Base-Base interactions energy: -202.933
where: short stacking energy: -118.808
Base-Backbone interact. energy: -0.216
local terms energy: -145.460805
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -39.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -342.754996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.754996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.754996 (E_RNA)
where:
Base-Base interactions energy: -204.929
where: short stacking energy: -112.590
Base-Backbone interact. energy: -0.309
local terms energy: -137.517253
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -348.573089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.573089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.573089 (E_RNA)
where:
Base-Base interactions energy: -206.170
where: short stacking energy: -96.510
Base-Backbone interact. energy: -0.908
local terms energy: -141.494924
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -36.650
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -300.650104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.650104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.650104 (E_RNA)
where:
Base-Base interactions energy: -161.817
where: short stacking energy: -77.814
Base-Backbone interact. energy: -0.922
local terms energy: -137.911862
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -158.790534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.790534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.790534 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -35.515
Base-Backbone interact. energy: -1.086
local terms energy: -120.223912
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -580.055962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.055962 (E_RNA)
where:
Base-Base interactions energy: -376.699
where: short stacking energy: -179.181
Base-Backbone interact. energy: -0.062
local terms energy: -203.294628
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -41.561
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -60.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -547.945420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.945420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.945420 (E_RNA)
where:
Base-Base interactions energy: -355.324
where: short stacking energy: -168.414
Base-Backbone interact. energy: -0.009
local terms energy: -192.612835
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -40.844
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -54.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -520.503392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.503392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.503392 (E_RNA)
where:
Base-Base interactions energy: -340.713
where: short stacking energy: -169.132
Base-Backbone interact. energy: -0.042
local terms energy: -179.748546
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -39.142
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -54.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -448.751277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.751277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.751277 (E_RNA)
where:
Base-Base interactions energy: -285.069
where: short stacking energy: -138.298
Base-Backbone interact. energy: -0.104
local terms energy: -163.578974
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -40.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -405.791241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.791241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.791241 (E_RNA)
where:
Base-Base interactions energy: -268.594
where: short stacking energy: -124.338
Base-Backbone interact. energy: -1.327
local terms energy: -135.870298
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -28.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -331.354995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.354995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.354995 (E_RNA)
where:
Base-Base interactions energy: -200.128
where: short stacking energy: -110.822
Base-Backbone interact. energy: -0.115
local terms energy: -131.111929
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -330.701083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.701083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.701083 (E_RNA)
where:
Base-Base interactions energy: -198.283
where: short stacking energy: -108.856
Base-Backbone interact. energy: -0.268
local terms energy: -132.149747
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -303.861475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.861475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.861475 (E_RNA)
where:
Base-Base interactions energy: -170.925
where: short stacking energy: -82.371
Base-Backbone interact. energy: -0.361
local terms energy: -132.574856
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -270.001211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.001211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.001211 (E_RNA)
where:
Base-Base interactions energy: -137.616
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.813
local terms energy: -131.571791
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -163.552295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.552295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.552295 (E_RNA)
where:
Base-Base interactions energy: -65.478
where: short stacking energy: -42.752
Base-Backbone interact. energy: 1.933
local terms energy: -100.007495
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: 9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -569.348658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.348658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.348658 (E_RNA)
where:
Base-Base interactions energy: -375.448
where: short stacking energy: -190.743
Base-Backbone interact. energy: 0.121
local terms energy: -194.021758
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -56.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -551.771514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.771514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.771514 (E_RNA)
where:
Base-Base interactions energy: -363.830
where: short stacking energy: -174.283
Base-Backbone interact. energy: -0.063
local terms energy: -187.878015
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -39.613
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -512.039417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.039417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.039417 (E_RNA)
where:
Base-Base interactions energy: -331.800
where: short stacking energy: -163.088
Base-Backbone interact. energy: -0.305
local terms energy: -179.934241
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -51.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -465.308776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.308776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.308776 (E_RNA)
where:
Base-Base interactions energy: -289.911
where: short stacking energy: -153.960
Base-Backbone interact. energy: -0.120
local terms energy: -175.278522
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -22.477
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -406.556993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.556993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.556993 (E_RNA)
where:
Base-Base interactions energy: -261.883
where: short stacking energy: -115.859
Base-Backbone interact. energy: -0.576
local terms energy: -144.097793
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -337.158046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.158046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.158046 (E_RNA)
where:
Base-Base interactions energy: -188.018
where: short stacking energy: -100.726
Base-Backbone interact. energy: -0.187
local terms energy: -148.952184
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -37.822
flat angles C4'-P-C4' energy: -37.108
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -313.428312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.428312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.428312 (E_RNA)
where:
Base-Base interactions energy: -192.616
where: short stacking energy: -101.858
Base-Backbone interact. energy: 1.274
local terms energy: -122.087043
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -313.814311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.814311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.814311 (E_RNA)
where:
Base-Base interactions energy: -170.472
where: short stacking energy: -92.504
Base-Backbone interact. energy: -1.166
local terms energy: -142.176779
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -256.131031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.131031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.131031 (E_RNA)
where:
Base-Base interactions energy: -134.100
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.349
local terms energy: -121.681995
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -152.018606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.018606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.018606 (E_RNA)
where:
Base-Base interactions energy: -60.710
where: short stacking energy: -43.591
Base-Backbone interact. energy: 5.128
local terms energy: -96.436639
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -571.820409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.820409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.820409 (E_RNA)
where:
Base-Base interactions energy: -373.435
where: short stacking energy: -184.087
Base-Backbone interact. energy: -0.031
local terms energy: -198.354002
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -40.397
flat angles P-C4'-P energy: -27.649
tors. eta vs tors. theta energy: -61.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -547.604337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.604337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.604337 (E_RNA)
where:
Base-Base interactions energy: -356.982
where: short stacking energy: -159.849
Base-Backbone interact. energy: -0.240
local terms energy: -190.382245
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -38.620
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: -48.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -518.238078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.238078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.238078 (E_RNA)
where:
Base-Base interactions energy: -330.025
where: short stacking energy: -162.808
Base-Backbone interact. energy: -0.193
local terms energy: -188.019880
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -38.900
flat angles C4'-P-C4' energy: -38.601
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -51.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -450.465804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.465804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.465804 (E_RNA)
where:
Base-Base interactions energy: -272.553
where: short stacking energy: -135.598
Base-Backbone interact. energy: -0.219
local terms energy: -177.693956
where:
bonds (distance) C4'-P energy: -34.707
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -41.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -399.926265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.926265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.926265 (E_RNA)
where:
Base-Base interactions energy: -255.571
where: short stacking energy: -111.066
Base-Backbone interact. energy: -0.741
local terms energy: -143.614410
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -334.986449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.986449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.986449 (E_RNA)
where:
Base-Base interactions energy: -198.859
where: short stacking energy: -112.053
Base-Backbone interact. energy: 0.945
local terms energy: -137.071997
where:
bonds (distance) C4'-P energy: -33.965
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -324.751879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.751879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.751879 (E_RNA)
where:
Base-Base interactions energy: -185.625
where: short stacking energy: -98.762
Base-Backbone interact. energy: -0.254
local terms energy: -138.873138
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -311.469937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.469937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.469937 (E_RNA)
where:
Base-Base interactions energy: -187.605
where: short stacking energy: -105.929
Base-Backbone interact. energy: 0.491
local terms energy: -124.356002
where:
bonds (distance) C4'-P energy: -36.611
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -27.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -260.265482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.265482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.265482 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.488
local terms energy: -113.859243
where:
bonds (distance) C4'-P energy: -39.091
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -212.226888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.226888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.226888 (E_RNA)
where:
Base-Base interactions energy: -111.408
where: short stacking energy: -61.248
Base-Backbone interact. energy: 0.441
local terms energy: -101.259363
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -574.254858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.254858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.254858 (E_RNA)
where:
Base-Base interactions energy: -378.247
where: short stacking energy: -181.847
Base-Backbone interact. energy: -0.058
local terms energy: -195.949984
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -27.327
tors. eta vs tors. theta energy: -59.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -543.277782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.277782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.277782 (E_RNA)
where:
Base-Base interactions energy: -367.936
where: short stacking energy: -165.335
Base-Backbone interact. energy: -1.133
local terms energy: -174.208892
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -43.638
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -51.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -496.309481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.309481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.309481 (E_RNA)
where:
Base-Base interactions energy: -316.494
where: short stacking energy: -155.830
Base-Backbone interact. energy: -0.154
local terms energy: -179.661678
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -50.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -496.826163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.826163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.826163 (E_RNA)
where:
Base-Base interactions energy: -322.592
where: short stacking energy: -171.064
Base-Backbone interact. energy: -0.228
local terms energy: -174.006371
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -52.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -425.574830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.574830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.574830 (E_RNA)
where:
Base-Base interactions energy: -276.018
where: short stacking energy: -124.295
Base-Backbone interact. energy: -1.310
local terms energy: -148.246647
where:
bonds (distance) C4'-P energy: -33.646
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -337.006120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.006120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.006120 (E_RNA)
where:
Base-Base interactions energy: -201.034
where: short stacking energy: -102.577
Base-Backbone interact. energy: 1.721
local terms energy: -137.692814
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -333.056352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.056352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.056352 (E_RNA)
where:
Base-Base interactions energy: -191.276
where: short stacking energy: -96.314
Base-Backbone interact. energy: -0.470
local terms energy: -141.309932
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -25.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -290.444678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.444678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.444678 (E_RNA)
where:
Base-Base interactions energy: -175.604
where: short stacking energy: -89.966
Base-Backbone interact. energy: -0.433
local terms energy: -114.407363
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -253.372540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.372540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.372540 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -66.602
Base-Backbone interact. energy: -1.126
local terms energy: -119.452991
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -167.233321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.233321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.233321 (E_RNA)
where:
Base-Base interactions energy: -62.411
where: short stacking energy: -52.634
Base-Backbone interact. energy: -1.069
local terms energy: -103.753811
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: 2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -586.266559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.266559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.266559 (E_RNA)
where:
Base-Base interactions energy: -381.748
where: short stacking energy: -195.333
Base-Backbone interact. energy: -0.010
local terms energy: -204.508773
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -42.441
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -58.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -574.721113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.721113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.721113 (E_RNA)
where:
Base-Base interactions energy: -374.397
where: short stacking energy: -182.150
Base-Backbone interact. energy: 0.094
local terms energy: -200.417911
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: -59.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -484.979575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.979575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.979575 (E_RNA)
where:
Base-Base interactions energy: -302.276
where: short stacking energy: -152.866
Base-Backbone interact. energy: -0.617
local terms energy: -182.087325
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -37.290
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -53.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -479.577606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.577606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.577606 (E_RNA)
where:
Base-Base interactions energy: -309.426
where: short stacking energy: -152.857
Base-Backbone interact. energy: 1.950
local terms energy: -172.102039
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -39.919
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -425.138460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.138460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.138460 (E_RNA)
where:
Base-Base interactions energy: -269.906
where: short stacking energy: -120.881
Base-Backbone interact. energy: -0.281
local terms energy: -154.951602
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -38.425
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -346.045920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.045920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.045920 (E_RNA)
where:
Base-Base interactions energy: -206.471
where: short stacking energy: -112.597
Base-Backbone interact. energy: -0.169
local terms energy: -139.405890
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -324.064533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.064533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.064533 (E_RNA)
where:
Base-Base interactions energy: -191.152
where: short stacking energy: -98.765
Base-Backbone interact. energy: -1.134
local terms energy: -131.778465
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -323.899104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.899104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.899104 (E_RNA)
where:
Base-Base interactions energy: -185.993
where: short stacking energy: -99.134
Base-Backbone interact. energy: -0.192
local terms energy: -137.714799
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -35.705
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -276.101947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.101947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.101947 (E_RNA)
where:
Base-Base interactions energy: -158.337
where: short stacking energy: -81.060
Base-Backbone interact. energy: 0.832
local terms energy: -118.597584
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -168.239824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.239824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.239824 (E_RNA)
where:
Base-Base interactions energy: -72.865
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.291
local terms energy: -95.083762
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -559.367959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.367959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.367959 (E_RNA)
where:
Base-Base interactions energy: -369.066
where: short stacking energy: -173.990
Base-Backbone interact. energy: -0.210
local terms energy: -190.092488
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -53.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -562.438944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.438944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.438944 (E_RNA)
where:
Base-Base interactions energy: -364.385
where: short stacking energy: -189.321
Base-Backbone interact. energy: -0.033
local terms energy: -198.021765
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -56.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -500.078546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.078546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.078546 (E_RNA)
where:
Base-Base interactions energy: -310.091
where: short stacking energy: -154.064
Base-Backbone interact. energy: -0.294
local terms energy: -189.694154
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -51.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -480.654774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.654774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.654774 (E_RNA)
where:
Base-Base interactions energy: -310.573
where: short stacking energy: -149.572
Base-Backbone interact. energy: -0.483
local terms energy: -169.599101
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -41.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -446.149563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.149563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.149563 (E_RNA)
where:
Base-Base interactions energy: -298.533
where: short stacking energy: -143.012
Base-Backbone interact. energy: 2.771
local terms energy: -150.387757
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -332.320851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.320851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.320851 (E_RNA)
where:
Base-Base interactions energy: -198.012
where: short stacking energy: -101.001
Base-Backbone interact. energy: 0.024
local terms energy: -134.333126
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -319.194085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.194085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.194085 (E_RNA)
where:
Base-Base interactions energy: -181.419
where: short stacking energy: -108.515
Base-Backbone interact. energy: 0.535
local terms energy: -138.309418
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -318.895703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.895703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.895703 (E_RNA)
where:
Base-Base interactions energy: -180.729
where: short stacking energy: -87.037
Base-Backbone interact. energy: -0.970
local terms energy: -137.197051
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -279.792759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.792759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.792759 (E_RNA)
where:
Base-Base interactions energy: -150.559
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.125
local terms energy: -129.108735
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -156.109112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.109112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.109112 (E_RNA)
where:
Base-Base interactions energy: -57.043
where: short stacking energy: -54.740
Base-Backbone interact. energy: 1.029
local terms energy: -100.095136
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -560.446930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.446930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.446930 (E_RNA)
where:
Base-Base interactions energy: -376.673
where: short stacking energy: -177.008
Base-Backbone interact. energy: -0.053
local terms energy: -183.720963
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -49.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -567.027618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.027618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.027618 (E_RNA)
where:
Base-Base interactions energy: -368.599
where: short stacking energy: -182.661
Base-Backbone interact. energy: -0.015
local terms energy: -198.414006
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -56.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -511.663435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.663435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.663435 (E_RNA)
where:
Base-Base interactions energy: -327.280
where: short stacking energy: -164.133
Base-Backbone interact. energy: -0.547
local terms energy: -183.836714
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -28.676
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -471.260399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.260399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.260399 (E_RNA)
where:
Base-Base interactions energy: -317.989
where: short stacking energy: -144.897
Base-Backbone interact. energy: -0.196
local terms energy: -153.075125
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -42.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -420.414947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.414947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.414947 (E_RNA)
where:
Base-Base interactions energy: -286.608
where: short stacking energy: -117.550
Base-Backbone interact. energy: 2.047
local terms energy: -135.853358
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -24.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -335.374016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.374016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.374016 (E_RNA)
where:
Base-Base interactions energy: -191.534
where: short stacking energy: -99.645
Base-Backbone interact. energy: 0.774
local terms energy: -144.613798
where:
bonds (distance) C4'-P energy: -34.161
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -317.323437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.323437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.323437 (E_RNA)
where:
Base-Base interactions energy: -186.992
where: short stacking energy: -98.717
Base-Backbone interact. energy: 0.951
local terms energy: -131.282602
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -301.816184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.816184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.816184 (E_RNA)
where:
Base-Base interactions energy: -170.664
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.410
local terms energy: -130.742633
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -262.478876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.478876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.478876 (E_RNA)
where:
Base-Base interactions energy: -142.359
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.526
local terms energy: -119.594303
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -170.287290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.287290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.287290 (E_RNA)
where:
Base-Base interactions energy: -57.476
where: short stacking energy: -49.442
Base-Backbone interact. energy: -0.611
local terms energy: -112.200315
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -557.057078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.057078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.057078 (E_RNA)
where:
Base-Base interactions energy: -364.811
where: short stacking energy: -161.229
Base-Backbone interact. energy: -0.015
local terms energy: -192.230857
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -39.263
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -51.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -559.930038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.930038 (E_RNA)
where:
Base-Base interactions energy: -369.322
where: short stacking energy: -189.674
Base-Backbone interact. energy: -0.002
local terms energy: -190.605428
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -42.068
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -62.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -514.208290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.208290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.208290 (E_RNA)
where:
Base-Base interactions energy: -335.146
where: short stacking energy: -171.182
Base-Backbone interact. energy: -0.684
local terms energy: -178.378448
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -54.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -468.779193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.779193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.779193 (E_RNA)
where:
Base-Base interactions energy: -295.811
where: short stacking energy: -156.877
Base-Backbone interact. energy: -0.084
local terms energy: -172.883583
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -40.306
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -46.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -407.910020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.910020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.910020 (E_RNA)
where:
Base-Base interactions energy: -259.066
where: short stacking energy: -116.326
Base-Backbone interact. energy: -1.379
local terms energy: -147.465034
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -29.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -340.768638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.768638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.768638 (E_RNA)
where:
Base-Base interactions energy: -205.869
where: short stacking energy: -99.033
Base-Backbone interact. energy: -0.613
local terms energy: -134.286133
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -331.294958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.294958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.294958 (E_RNA)
where:
Base-Base interactions energy: -205.093
where: short stacking energy: -108.913
Base-Backbone interact. energy: 1.821
local terms energy: -128.023063
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -299.493696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.493696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.493696 (E_RNA)
where:
Base-Base interactions energy: -178.356
where: short stacking energy: -100.917
Base-Backbone interact. energy: -0.554
local terms energy: -120.583814
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -162.876654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.876654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.876654 (E_RNA)
where:
Base-Base interactions energy: -64.311
where: short stacking energy: -52.482
Base-Backbone interact. energy: -0.760
local terms energy: -97.804973
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -231.493881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.493881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.493881 (E_RNA)
where:
Base-Base interactions energy: -105.208
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.488
local terms energy: -125.797797
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -557.651410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.651410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.651410 (E_RNA)
where:
Base-Base interactions energy: -357.638
where: short stacking energy: -172.060
Base-Backbone interact. energy: -0.690
local terms energy: -199.324118
where:
bonds (distance) C4'-P energy: -38.963
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -39.549
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -58.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -562.805989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.805989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.805989 (E_RNA)
where:
Base-Base interactions energy: -368.046
where: short stacking energy: -181.302
Base-Backbone interact. energy: -0.185
local terms energy: -194.575765
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -499.567553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.567553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.567553 (E_RNA)
where:
Base-Base interactions energy: -328.381
where: short stacking energy: -166.160
Base-Backbone interact. energy: -0.374
local terms energy: -170.812394
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -33.205
flat angles P-C4'-P energy: -26.449
tors. eta vs tors. theta energy: -47.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -489.525970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.525970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.525970 (E_RNA)
where:
Base-Base interactions energy: -313.580
where: short stacking energy: -154.662
Base-Backbone interact. energy: -0.047
local terms energy: -175.898322
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -406.915835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.915835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.915835 (E_RNA)
where:
Base-Base interactions energy: -266.210
where: short stacking energy: -114.468
Base-Backbone interact. energy: -0.305
local terms energy: -140.400224
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -353.523896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.523896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.523896 (E_RNA)
where:
Base-Base interactions energy: -214.921
where: short stacking energy: -124.746
Base-Backbone interact. energy: -0.115
local terms energy: -138.487431
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -338.356226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.356226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.356226 (E_RNA)
where:
Base-Base interactions energy: -201.640
where: short stacking energy: -105.108
Base-Backbone interact. energy: -1.324
local terms energy: -135.391799
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -306.662941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.662941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.662941 (E_RNA)
where:
Base-Base interactions energy: -167.378
where: short stacking energy: -81.305
Base-Backbone interact. energy: -0.103
local terms energy: -139.181462
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -33.011
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -170.420394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.420394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.420394 (E_RNA)
where:
Base-Base interactions energy: -73.471
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.946
local terms energy: -96.003664
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -215.632545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.632545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.632545 (E_RNA)
where:
Base-Base interactions energy: -112.043
where: short stacking energy: -65.630
Base-Backbone interact. energy: 0.714
local terms energy: -104.304043
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -570.979132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.979132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.979132 (E_RNA)
where:
Base-Base interactions energy: -379.742
where: short stacking energy: -190.509
Base-Backbone interact. energy: -0.196
local terms energy: -191.040308
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -40.914
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -52.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -541.907296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.907296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.907296 (E_RNA)
where:
Base-Base interactions energy: -359.302
where: short stacking energy: -166.451
Base-Backbone interact. energy: -0.061
local terms energy: -182.544448
where:
bonds (distance) C4'-P energy: -35.684
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -49.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -504.673055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.673055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.673055 (E_RNA)
where:
Base-Base interactions energy: -319.893
where: short stacking energy: -169.507
Base-Backbone interact. energy: -0.090
local terms energy: -184.689498
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -36.257
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -49.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -450.682796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.682796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.682796 (E_RNA)
where:
Base-Base interactions energy: -285.352
where: short stacking energy: -134.456
Base-Backbone interact. energy: -0.700
local terms energy: -164.631548
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -38.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -413.660926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.660926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.660926 (E_RNA)
where:
Base-Base interactions energy: -256.181
where: short stacking energy: -121.192
Base-Backbone interact. energy: -0.844
local terms energy: -156.635576
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -340.834773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.834773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.834773 (E_RNA)
where:
Base-Base interactions energy: -213.048
where: short stacking energy: -93.617
Base-Backbone interact. energy: -0.107
local terms energy: -127.680154
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -321.827512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.827512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.827512 (E_RNA)
where:
Base-Base interactions energy: -189.246
where: short stacking energy: -84.951
Base-Backbone interact. energy: -0.384
local terms energy: -132.197071
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -317.966965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.966965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.966965 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -86.789
Base-Backbone interact. energy: -0.244
local terms energy: -131.770003
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -235.182392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.182392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.182392 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -72.400
Base-Backbone interact. energy: -0.610
local terms energy: -97.617194
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -157.124563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.124563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.124563 (E_RNA)
where:
Base-Base interactions energy: -49.018
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.235
local terms energy: -107.871582
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -581.236261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.236261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.236261 (E_RNA)
where:
Base-Base interactions energy: -388.436
where: short stacking energy: -190.812
Base-Backbone interact. energy: -0.158
local terms energy: -192.641795
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -39.172
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -57.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -537.047717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.047717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.047717 (E_RNA)
where:
Base-Base interactions energy: -352.726
where: short stacking energy: -159.592
Base-Backbone interact. energy: -0.854
local terms energy: -183.467516
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -51.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -527.333945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.333945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.333945 (E_RNA)
where:
Base-Base interactions energy: -335.553
where: short stacking energy: -174.514
Base-Backbone interact. energy: -0.187
local terms energy: -191.594250
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -42.306
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -463.128572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.128572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.128572 (E_RNA)
where:
Base-Base interactions energy: -295.389
where: short stacking energy: -143.380
Base-Backbone interact. energy: -0.601
local terms energy: -167.138815
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -420.996733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.996733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.996733 (E_RNA)
where:
Base-Base interactions energy: -278.987
where: short stacking energy: -116.839
Base-Backbone interact. energy: 0.261
local terms energy: -142.271082
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -319.467149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.467149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.467149 (E_RNA)
where:
Base-Base interactions energy: -177.140
where: short stacking energy: -90.636
Base-Backbone interact. energy: -0.358
local terms energy: -141.969082
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -328.605812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.605812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.605812 (E_RNA)
where:
Base-Base interactions energy: -193.239
where: short stacking energy: -88.113
Base-Backbone interact. energy: -0.586
local terms energy: -134.780982
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -317.639263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.639263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.639263 (E_RNA)
where:
Base-Base interactions energy: -197.389
where: short stacking energy: -104.657
Base-Backbone interact. energy: -0.329
local terms energy: -119.921672
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -208.384000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.384000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.384000 (E_RNA)
where:
Base-Base interactions energy: -92.815
where: short stacking energy: -42.182
Base-Backbone interact. energy: -0.611
local terms energy: -114.958282
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -160.228500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.228500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.228500 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -39.522
Base-Backbone interact. energy: 1.141
local terms energy: -103.405806
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: 4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -551.589247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.589247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.589247 (E_RNA)
where:
Base-Base interactions energy: -367.020
where: short stacking energy: -174.813
Base-Backbone interact. energy: -0.751
local terms energy: -183.817865
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -564.766662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.766662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.766662 (E_RNA)
where:
Base-Base interactions energy: -370.040
where: short stacking energy: -178.949
Base-Backbone interact. energy: -0.506
local terms energy: -194.220641
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: -59.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -517.483181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.483181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.483181 (E_RNA)
where:
Base-Base interactions energy: -340.226
where: short stacking energy: -165.657
Base-Backbone interact. energy: 0.514
local terms energy: -177.771207
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -485.825958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.825958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.825958 (E_RNA)
where:
Base-Base interactions energy: -308.325
where: short stacking energy: -154.860
Base-Backbone interact. energy: 0.527
local terms energy: -178.027315
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -44.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -403.163348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.163348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.163348 (E_RNA)
where:
Base-Base interactions energy: -266.723
where: short stacking energy: -109.730
Base-Backbone interact. energy: 1.938
local terms energy: -138.378611
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -310.723162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.723162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.723162 (E_RNA)
where:
Base-Base interactions energy: -175.767
where: short stacking energy: -71.401
Base-Backbone interact. energy: -1.379
local terms energy: -133.576784
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -336.385412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.385412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.385412 (E_RNA)
where:
Base-Base interactions energy: -194.039
where: short stacking energy: -110.934
Base-Backbone interact. energy: -1.559
local terms energy: -140.786883
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -27.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -292.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.834194 (E_RNA)
where:
Base-Base interactions energy: -168.190
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.249
local terms energy: -124.394939
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -168.502587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.502587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.502587 (E_RNA)
where:
Base-Base interactions energy: -55.180
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.480
local terms energy: -112.842355
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -142.632576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.632576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.632576 (E_RNA)
where:
Base-Base interactions energy: -43.556
where: short stacking energy: -38.358
Base-Backbone interact. energy: -0.500
local terms energy: -98.576458
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: 11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -538.025861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.025861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.025861 (E_RNA)
where:
Base-Base interactions energy: -338.975
where: short stacking energy: -153.001
Base-Backbone interact. energy: -0.445
local terms energy: -198.605560
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -40.064
flat angles C4'-P-C4' energy: -44.055
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -565.149724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.149724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.149724 (E_RNA)
where:
Base-Base interactions energy: -377.960
where: short stacking energy: -186.703
Base-Backbone interact. energy: -0.056
local terms energy: -187.133938
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -55.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -530.766627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.766627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.766627 (E_RNA)
where:
Base-Base interactions energy: -336.053
where: short stacking energy: -167.168
Base-Backbone interact. energy: -0.094
local terms energy: -194.620024
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -51.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -460.438741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.438741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.438741 (E_RNA)
where:
Base-Base interactions energy: -301.628
where: short stacking energy: -156.861
Base-Backbone interact. energy: -0.514
local terms energy: -158.297369
where:
bonds (distance) C4'-P energy: -31.564
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -423.714805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.714805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.714805 (E_RNA)
where:
Base-Base interactions energy: -281.213
where: short stacking energy: -129.760
Base-Backbone interact. energy: -0.494
local terms energy: -142.008197
where:
bonds (distance) C4'-P energy: -28.474
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -27.705
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -338.593122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.593122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.593122 (E_RNA)
where:
Base-Base interactions energy: -193.670
where: short stacking energy: -101.077
Base-Backbone interact. energy: 1.567
local terms energy: -146.489744
where:
bonds (distance) C4'-P energy: -40.477
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -345.318064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.318064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.318064 (E_RNA)
where:
Base-Base interactions energy: -194.368
where: short stacking energy: -96.872
Base-Backbone interact. energy: -1.090
local terms energy: -149.859629
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -297.450187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.450187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.450187 (E_RNA)
where:
Base-Base interactions energy: -160.371
where: short stacking energy: -81.451
Base-Backbone interact. energy: -0.198
local terms energy: -136.881281
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -157.567311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.567311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.567311 (E_RNA)
where:
Base-Base interactions energy: -60.013
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.602
local terms energy: -96.952120
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -30.162
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -158.484283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.484283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.484283 (E_RNA)
where:
Base-Base interactions energy: -53.872
where: short stacking energy: -39.814
Base-Backbone interact. energy: -0.932
local terms energy: -103.680053
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -574.327784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.327784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.327784 (E_RNA)
where:
Base-Base interactions energy: -382.299
where: short stacking energy: -195.006
Base-Backbone interact. energy: -0.047
local terms energy: -191.981820
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -537.822908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.822908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.822908 (E_RNA)
where:
Base-Base interactions energy: -359.957
where: short stacking energy: -172.250
Base-Backbone interact. energy: -0.426
local terms energy: -177.439741
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -50.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -504.456479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.456479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.456479 (E_RNA)
where:
Base-Base interactions energy: -334.312
where: short stacking energy: -154.804
Base-Backbone interact. energy: -0.019
local terms energy: -170.124763
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -46.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -474.592754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.592754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.592754 (E_RNA)
where:
Base-Base interactions energy: -297.074
where: short stacking energy: -157.132
Base-Backbone interact. energy: -0.116
local terms energy: -177.402222
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -28.461
tors. eta vs tors. theta energy: -43.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -451.554726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.554726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.554726 (E_RNA)
where:
Base-Base interactions energy: -305.621
where: short stacking energy: -134.084
Base-Backbone interact. energy: 0.295
local terms energy: -146.229008
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -347.532879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.532879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.532879 (E_RNA)
where:
Base-Base interactions energy: -202.949
where: short stacking energy: -112.309
Base-Backbone interact. energy: -0.038
local terms energy: -144.545276
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -26.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -325.668038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.668038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.668038 (E_RNA)
where:
Base-Base interactions energy: -186.010
where: short stacking energy: -106.148
Base-Backbone interact. energy: -0.556
local terms energy: -139.102876
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -28.528
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -287.329765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.329765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.329765 (E_RNA)
where:
Base-Base interactions energy: -167.742
where: short stacking energy: -79.034
Base-Backbone interact. energy: -1.885
local terms energy: -117.703629
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -156.894198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.894198 (E_RNA)
where:
Base-Base interactions energy: -59.721
where: short stacking energy: -46.076
Base-Backbone interact. energy: -0.618
local terms energy: -96.555409
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -30.533
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: 1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -160.353788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.353788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.353788 (E_RNA)
where:
Base-Base interactions energy: -51.690
where: short stacking energy: -50.837
Base-Backbone interact. energy: 0.665
local terms energy: -109.328937
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: 2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -574.135403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.135403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.135403 (E_RNA)
where:
Base-Base interactions energy: -373.702
where: short stacking energy: -181.225
Base-Backbone interact. energy: 0.188
local terms energy: -200.621288
where:
bonds (distance) C4'-P energy: -35.006
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -30.897
tors. eta vs tors. theta energy: -53.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -548.121474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.121474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.121474 (E_RNA)
where:
Base-Base interactions energy: -353.615
where: short stacking energy: -160.776
Base-Backbone interact. energy: -0.661
local terms energy: -193.845180
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -37.252
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -53.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -502.540997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.540997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.540997 (E_RNA)
where:
Base-Base interactions energy: -328.870
where: short stacking energy: -170.833
Base-Backbone interact. energy: 2.135
local terms energy: -175.805457
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -56.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -474.708238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.708238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.708238 (E_RNA)
where:
Base-Base interactions energy: -301.602
where: short stacking energy: -145.382
Base-Backbone interact. energy: -0.049
local terms energy: -173.057358
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -40.324
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -43.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -445.403010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.403010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.403010 (E_RNA)
where:
Base-Base interactions energy: -295.684
where: short stacking energy: -125.916
Base-Backbone interact. energy: 0.506
local terms energy: -150.225254
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -29.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -330.970472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.970472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.970472 (E_RNA)
where:
Base-Base interactions energy: -190.406
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.478
local terms energy: -140.086127
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -322.986272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.986272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.986272 (E_RNA)
where:
Base-Base interactions energy: -195.728
where: short stacking energy: -93.461
Base-Backbone interact. energy: -1.188
local terms energy: -126.070529
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -304.167108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.167108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.167108 (E_RNA)
where:
Base-Base interactions energy: -181.761
where: short stacking energy: -92.640
Base-Backbone interact. energy: -0.353
local terms energy: -122.052976
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -238.008042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.008042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.008042 (E_RNA)
where:
Base-Base interactions energy: -119.901
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.611
local terms energy: -117.496215
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -186.513443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.513443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.513443 (E_RNA)
where:
Base-Base interactions energy: -69.583
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.353
local terms energy: -116.577791
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -589.949563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.949563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.949563 (E_RNA)
where:
Base-Base interactions energy: -386.213
where: short stacking energy: -179.962
Base-Backbone interact. energy: -0.113
local terms energy: -203.623864
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -44.310
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -56.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -552.148764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.148764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.148764 (E_RNA)
where:
Base-Base interactions energy: -367.989
where: short stacking energy: -167.475
Base-Backbone interact. energy: -0.162
local terms energy: -183.997281
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -35.071
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -51.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -508.200574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.200574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.200574 (E_RNA)
where:
Base-Base interactions energy: -319.909
where: short stacking energy: -171.655
Base-Backbone interact. energy: -0.139
local terms energy: -188.151847
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -34.603
flat angles C4'-P-C4' energy: -45.970
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -55.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -482.983027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.983027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.983027 (E_RNA)
where:
Base-Base interactions energy: -301.664
where: short stacking energy: -140.379
Base-Backbone interact. energy: -0.103
local terms energy: -181.215619
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -48.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -430.854983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.854983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.854983 (E_RNA)
where:
Base-Base interactions energy: -282.628
where: short stacking energy: -137.966
Base-Backbone interact. energy: -0.562
local terms energy: -147.664943
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -327.713877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.713877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.713877 (E_RNA)
where:
Base-Base interactions energy: -194.351
where: short stacking energy: -103.714
Base-Backbone interact. energy: -0.412
local terms energy: -132.950391
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -340.468417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.468417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.468417 (E_RNA)
where:
Base-Base interactions energy: -198.417
where: short stacking energy: -92.542
Base-Backbone interact. energy: -0.131
local terms energy: -141.919851
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -35.833
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -300.776391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.776391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.776391 (E_RNA)
where:
Base-Base interactions energy: -168.627
where: short stacking energy: -81.322
Base-Backbone interact. energy: -0.491
local terms energy: -131.659170
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -197.046187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.046187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.046187 (E_RNA)
where:
Base-Base interactions energy: -98.626
where: short stacking energy: -54.546
Base-Backbone interact. energy: 1.241
local terms energy: -99.660932
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -157.122034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.122034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.122034 (E_RNA)
where:
Base-Base interactions energy: -56.954
where: short stacking energy: -40.210
Base-Backbone interact. energy: -0.378
local terms energy: -99.789742
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: 7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -584.462702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.462702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.462702 (E_RNA)
where:
Base-Base interactions energy: -392.790
where: short stacking energy: -176.627
Base-Backbone interact. energy: -0.113
local terms energy: -191.559857
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -31.000
tors. eta vs tors. theta energy: -53.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -537.748379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.748379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.748379 (E_RNA)
where:
Base-Base interactions energy: -353.582
where: short stacking energy: -155.436
Base-Backbone interact. energy: -1.037
local terms energy: -183.129412
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -48.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -508.602969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.602969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.602969 (E_RNA)
where:
Base-Base interactions energy: -316.297
where: short stacking energy: -162.818
Base-Backbone interact. energy: 0.428
local terms energy: -192.733836
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: -54.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -494.263008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.263008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.263008 (E_RNA)
where:
Base-Base interactions energy: -317.823
where: short stacking energy: -155.046
Base-Backbone interact. energy: -0.703
local terms energy: -175.737312
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -45.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -416.388199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.388199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.388199 (E_RNA)
where:
Base-Base interactions energy: -263.918
where: short stacking energy: -118.798
Base-Backbone interact. energy: -0.406
local terms energy: -152.063923
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -31.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -352.220370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.220370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.220370 (E_RNA)
where:
Base-Base interactions energy: -214.983
where: short stacking energy: -115.055
Base-Backbone interact. energy: -0.179
local terms energy: -137.058057
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -28.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -343.902468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.902468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.902468 (E_RNA)
where:
Base-Base interactions energy: -194.326
where: short stacking energy: -109.685
Base-Backbone interact. energy: -0.558
local terms energy: -149.018805
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -306.017006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.017006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.017006 (E_RNA)
where:
Base-Base interactions energy: -180.824
where: short stacking energy: -82.468
Base-Backbone interact. energy: -0.523
local terms energy: -124.670441
where:
bonds (distance) C4'-P energy: -28.745
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -165.858813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.858813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.858813 (E_RNA)
where:
Base-Base interactions energy: -61.634
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.574
local terms energy: -103.650752
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -172.027737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.027737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.027737 (E_RNA)
where:
Base-Base interactions energy: -67.584
where: short stacking energy: -50.539
Base-Backbone interact. energy: -0.497
local terms energy: -103.946737
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -586.944732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.944732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.944732 (E_RNA)
where:
Base-Base interactions energy: -386.014
where: short stacking energy: -185.828
Base-Backbone interact. energy: -0.118
local terms energy: -200.811974
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -38.916
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -57.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -544.534689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.534689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.534689 (E_RNA)
where:
Base-Base interactions energy: -362.630
where: short stacking energy: -166.165
Base-Backbone interact. energy: 0.158
local terms energy: -182.062458
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -38.512
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -524.207149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.207149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.207149 (E_RNA)
where:
Base-Base interactions energy: -327.769
where: short stacking energy: -174.214
Base-Backbone interact. energy: -0.131
local terms energy: -196.307270
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -33.137
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -59.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -505.034031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.034031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.034031 (E_RNA)
where:
Base-Base interactions energy: -325.283
where: short stacking energy: -160.911
Base-Backbone interact. energy: -0.352
local terms energy: -179.398175
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -49.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -331.120425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.120425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.120425 (E_RNA)
where:
Base-Base interactions energy: -182.450
where: short stacking energy: -103.095
Base-Backbone interact. energy: -0.342
local terms energy: -148.328797
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -36.784
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -406.385330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.385330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.385330 (E_RNA)
where:
Base-Base interactions energy: -260.612
where: short stacking energy: -127.559
Base-Backbone interact. energy: -0.897
local terms energy: -144.875778
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -32.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -291.431723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.431723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.431723 (E_RNA)
where:
Base-Base interactions energy: -160.899
where: short stacking energy: -85.677
Base-Backbone interact. energy: 0.792
local terms energy: -131.324417
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -325.550908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.550908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.550908 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -100.021
Base-Backbone interact. energy: -0.018
local terms energy: -128.473680
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -168.406202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.406202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.406202 (E_RNA)
where:
Base-Base interactions energy: -72.188
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.277
local terms energy: -95.941535
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: 7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -159.085003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.085003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.085003 (E_RNA)
where:
Base-Base interactions energy: -55.448
where: short stacking energy: -54.792
Base-Backbone interact. energy: 1.335
local terms energy: -104.971387
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -584.417205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.417205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.417205 (E_RNA)
where:
Base-Base interactions energy: -391.950
where: short stacking energy: -176.112
Base-Backbone interact. energy: -0.167
local terms energy: -192.300830
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -30.730
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -59.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -519.890578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.890578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.890578 (E_RNA)
where:
Base-Base interactions energy: -338.772
where: short stacking energy: -177.466
Base-Backbone interact. energy: -0.420
local terms energy: -180.698544
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -56.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -532.307245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.307245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.307245 (E_RNA)
where:
Base-Base interactions energy: -345.123
where: short stacking energy: -155.390
Base-Backbone interact. energy: -0.102
local terms energy: -187.081742
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -51.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -512.282016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.282016 (E_RNA)
where:
Base-Base interactions energy: -331.145
where: short stacking energy: -161.795
Base-Backbone interact. energy: -1.071
local terms energy: -180.066050
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -36.412
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -55.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -345.378730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.378730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.378730 (E_RNA)
where:
Base-Base interactions energy: -193.527
where: short stacking energy: -93.660
Base-Backbone interact. energy: -1.843
local terms energy: -150.009053
where:
bonds (distance) C4'-P energy: -38.851
bonds (distance) P-C4' energy: -38.260
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -393.307046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.307046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.307046 (E_RNA)
where:
Base-Base interactions energy: -249.118
where: short stacking energy: -116.804
Base-Backbone interact. energy: -0.547
local terms energy: -143.641683
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -335.138398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.138398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.138398 (E_RNA)
where:
Base-Base interactions energy: -196.159
where: short stacking energy: -88.154
Base-Backbone interact. energy: -0.968
local terms energy: -138.011340
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -311.680597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.680597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.680597 (E_RNA)
where:
Base-Base interactions energy: -174.852
where: short stacking energy: -92.756
Base-Backbone interact. energy: -0.438
local terms energy: -136.391173
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -182.316247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.316247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.316247 (E_RNA)
where:
Base-Base interactions energy: -68.427
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.525
local terms energy: -113.365094
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -161.234620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.234620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.234620 (E_RNA)
where:
Base-Base interactions energy: -57.842
where: short stacking energy: -56.058
Base-Backbone interact. energy: 2.921
local terms energy: -106.314049
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -589.901159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.901159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.901159 (E_RNA)
where:
Base-Base interactions energy: -392.050
where: short stacking energy: -184.977
Base-Backbone interact. energy: -0.096
local terms energy: -197.755569
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -40.260
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -59.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -523.266021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.266021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.266021 (E_RNA)
where:
Base-Base interactions energy: -326.156
where: short stacking energy: -170.988
Base-Backbone interact. energy: -0.001
local terms energy: -197.109222
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -49.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -522.941659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.941659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.941659 (E_RNA)
where:
Base-Base interactions energy: -337.906
where: short stacking energy: -161.421
Base-Backbone interact. energy: -0.208
local terms energy: -184.827662
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -49.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -520.600112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.600112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.600112 (E_RNA)
where:
Base-Base interactions energy: -342.021
where: short stacking energy: -164.850
Base-Backbone interact. energy: -0.294
local terms energy: -178.285829
where:
bonds (distance) C4'-P energy: -37.846
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -45.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -418.708045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.708045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.708045 (E_RNA)
where:
Base-Base interactions energy: -270.783
where: short stacking energy: -125.221
Base-Backbone interact. energy: -0.565
local terms energy: -147.359754
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -26.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -357.107256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.107256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.107256 (E_RNA)
where:
Base-Base interactions energy: -208.011
where: short stacking energy: -103.882
Base-Backbone interact. energy: -0.420
local terms energy: -148.676865
where:
bonds (distance) C4'-P energy: -30.497
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -37.310
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -317.732318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.732318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.732318 (E_RNA)
where:
Base-Base interactions energy: -182.821
where: short stacking energy: -91.571
Base-Backbone interact. energy: -1.510
local terms energy: -133.401261
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -306.919421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.919421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.919421 (E_RNA)
where:
Base-Base interactions energy: -180.026
where: short stacking energy: -97.249
Base-Backbone interact. energy: -0.160
local terms energy: -126.733684
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -182.027819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.027819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.027819 (E_RNA)
where:
Base-Base interactions energy: -71.760
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.910
local terms energy: -109.358039
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -165.209609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.209609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.209609 (E_RNA)
where:
Base-Base interactions energy: -66.249
where: short stacking energy: -61.546
Base-Backbone interact. energy: -0.098
local terms energy: -98.862737
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -593.992833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.992833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.992833 (E_RNA)
where:
Base-Base interactions energy: -393.854
where: short stacking energy: -193.659
Base-Backbone interact. energy: -0.728
local terms energy: -199.411053
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -42.426
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -60.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -519.933271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.933271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.933271 (E_RNA)
where:
Base-Base interactions energy: -331.691
where: short stacking energy: -170.319
Base-Backbone interact. energy: 0.244
local terms energy: -188.486617
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -43.347
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -52.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -492.023162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.023162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.023162 (E_RNA)
where:
Base-Base interactions energy: -321.110
where: short stacking energy: -157.777
Base-Backbone interact. energy: -0.038
local terms energy: -170.875656
where:
bonds (distance) C4'-P energy: -32.890
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -38.738
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -513.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.545343 (E_RNA)
where:
Base-Base interactions energy: -339.460
where: short stacking energy: -147.159
Base-Backbone interact. energy: 0.390
local terms energy: -174.475355
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -45.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -417.957619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.957619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.957619 (E_RNA)
where:
Base-Base interactions energy: -258.069
where: short stacking energy: -123.710
Base-Backbone interact. energy: -0.171
local terms energy: -159.717323
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -37.580
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -355.324223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.324223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.324223 (E_RNA)
where:
Base-Base interactions energy: -223.824
where: short stacking energy: -114.884
Base-Backbone interact. energy: 0.592
local terms energy: -132.092357
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -337.798717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.798717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.798717 (E_RNA)
where:
Base-Base interactions energy: -203.525
where: short stacking energy: -111.833
Base-Backbone interact. energy: -0.777
local terms energy: -133.496289
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -304.100265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.100265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.100265 (E_RNA)
where:
Base-Base interactions energy: -177.071
where: short stacking energy: -88.693
Base-Backbone interact. energy: -0.257
local terms energy: -126.772273
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -170.543028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.543028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.543028 (E_RNA)
where:
Base-Base interactions energy: -70.203
where: short stacking energy: -48.874
Base-Backbone interact. energy: 0.383
local terms energy: -100.722671
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -168.638883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.638883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.638883 (E_RNA)
where:
Base-Base interactions energy: -67.034
where: short stacking energy: -38.882
Base-Backbone interact. energy: -0.494
local terms energy: -101.110475
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: 3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -581.878605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.878605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.878605 (E_RNA)
where:
Base-Base interactions energy: -389.582
where: short stacking energy: -190.040
Base-Backbone interact. energy: -0.013
local terms energy: -192.283776
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -41.829
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -53.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -522.289377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.289377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.289377 (E_RNA)
where:
Base-Base interactions energy: -344.337
where: short stacking energy: -185.780
Base-Backbone interact. energy: -0.496
local terms energy: -177.456649
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -39.550
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -52.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -522.561444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.561444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.561444 (E_RNA)
where:
Base-Base interactions energy: -345.001
where: short stacking energy: -167.103
Base-Backbone interact. energy: 0.590
local terms energy: -178.150724
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -37.497
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -52.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -499.330746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.330746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.330746 (E_RNA)
where:
Base-Base interactions energy: -315.281
where: short stacking energy: -158.057
Base-Backbone interact. energy: -0.083
local terms energy: -183.966262
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -45.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -396.509491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.509491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.509491 (E_RNA)
where:
Base-Base interactions energy: -241.578
where: short stacking energy: -114.633
Base-Backbone interact. energy: -1.041
local terms energy: -153.889629
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -340.406183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.406183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.406183 (E_RNA)
where:
Base-Base interactions energy: -187.231
where: short stacking energy: -103.350
Base-Backbone interact. energy: 0.927
local terms energy: -154.102040
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -29.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -325.814318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.814318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.814318 (E_RNA)
where:
Base-Base interactions energy: -186.165
where: short stacking energy: -99.251
Base-Backbone interact. energy: 0.475
local terms energy: -140.123655
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -308.422283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.422283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.422283 (E_RNA)
where:
Base-Base interactions energy: -172.389
where: short stacking energy: -84.684
Base-Backbone interact. energy: 0.092
local terms energy: -136.124854
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -174.595283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.595283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.595283 (E_RNA)
where:
Base-Base interactions energy: -63.837
where: short stacking energy: -50.039
Base-Backbone interact. energy: -1.618
local terms energy: -109.140043
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -175.125322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.125322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.125322 (E_RNA)
where:
Base-Base interactions energy: -84.554
where: short stacking energy: -49.173
Base-Backbone interact. energy: 0.587
local terms energy: -91.158510
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -584.969113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.969113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.969113 (E_RNA)
where:
Base-Base interactions energy: -386.786
where: short stacking energy: -193.281
Base-Backbone interact. energy: -0.018
local terms energy: -198.164939
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -59.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -526.332792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.332792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.332792 (E_RNA)
where:
Base-Base interactions energy: -348.023
where: short stacking energy: -163.627
Base-Backbone interact. energy: -0.402
local terms energy: -177.907279
where:
bonds (distance) C4'-P energy: -41.185
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -526.222723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.222723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.222723 (E_RNA)
where:
Base-Base interactions energy: -341.007
where: short stacking energy: -163.063
Base-Backbone interact. energy: -0.538
local terms energy: -184.677577
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -52.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -478.817103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.817103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.817103 (E_RNA)
where:
Base-Base interactions energy: -301.837
where: short stacking energy: -148.925
Base-Backbone interact. energy: -0.486
local terms energy: -176.494455
where:
bonds (distance) C4'-P energy: -32.508
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -37.464
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -45.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -399.655442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.655442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.655442 (E_RNA)
where:
Base-Base interactions energy: -245.518
where: short stacking energy: -113.503
Base-Backbone interact. energy: -0.189
local terms energy: -153.948255
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -357.965526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.965526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.965526 (E_RNA)
where:
Base-Base interactions energy: -198.772
where: short stacking energy: -110.276
Base-Backbone interact. energy: -0.399
local terms energy: -158.794462
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -37.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -324.694935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.694935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.694935 (E_RNA)
where:
Base-Base interactions energy: -175.792
where: short stacking energy: -81.958
Base-Backbone interact. energy: -0.452
local terms energy: -148.450888
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -329.968841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.968841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.968841 (E_RNA)
where:
Base-Base interactions energy: -186.084
where: short stacking energy: -100.564
Base-Backbone interact. energy: -0.790
local terms energy: -143.094762
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -43.403
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -159.060882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060882 (E_RNA)
where:
Base-Base interactions energy: -51.778
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.452
local terms energy: -106.831515
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -159.414755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.414755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.414755 (E_RNA)
where:
Base-Base interactions energy: -64.679
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.236
local terms energy: -94.500111
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -580.601387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.601387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.601387 (E_RNA)
where:
Base-Base interactions energy: -384.741
where: short stacking energy: -176.650
Base-Backbone interact. energy: -0.015
local terms energy: -195.845355
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -56.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -509.936196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.936196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.936196 (E_RNA)
where:
Base-Base interactions energy: -324.275
where: short stacking energy: -173.837
Base-Backbone interact. energy: -0.290
local terms energy: -185.371776
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -53.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -499.150265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.150265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.150265 (E_RNA)
where:
Base-Base interactions energy: -316.083
where: short stacking energy: -158.213
Base-Backbone interact. energy: -0.798
local terms energy: -182.270098
where:
bonds (distance) C4'-P energy: -31.598
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -48.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -509.394831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.394831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.394831 (E_RNA)
where:
Base-Base interactions energy: -329.117
where: short stacking energy: -160.168
Base-Backbone interact. energy: -0.016
local terms energy: -180.262558
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -39.514
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -350.373712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.373712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.373712 (E_RNA)
where:
Base-Base interactions energy: -203.889
where: short stacking energy: -108.783
Base-Backbone interact. energy: -0.338
local terms energy: -146.147065
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -26.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -393.072610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.072610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.072610 (E_RNA)
where:
Base-Base interactions energy: -254.207
where: short stacking energy: -111.323
Base-Backbone interact. energy: 1.636
local terms energy: -140.501667
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -352.927779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.927779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.927779 (E_RNA)
where:
Base-Base interactions energy: -205.909
where: short stacking energy: -102.027
Base-Backbone interact. energy: -0.376
local terms energy: -146.642849
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -313.789162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.789162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.789162 (E_RNA)
where:
Base-Base interactions energy: -171.085
where: short stacking energy: -78.556
Base-Backbone interact. energy: 2.742
local terms energy: -145.445676
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -238.202446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.202446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.202446 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.378
local terms energy: -114.651905
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -169.305602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.305602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.305602 (E_RNA)
where:
Base-Base interactions energy: -53.381
where: short stacking energy: -45.579
Base-Backbone interact. energy: -0.785
local terms energy: -115.140011
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -35.978
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -574.067746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.067746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.067746 (E_RNA)
where:
Base-Base interactions energy: -388.676
where: short stacking energy: -190.882
Base-Backbone interact. energy: -0.007
local terms energy: -185.385317
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -56.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -491.211350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.211350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.211350 (E_RNA)
where:
Base-Base interactions energy: -306.711
where: short stacking energy: -162.809
Base-Backbone interact. energy: -0.686
local terms energy: -183.814844
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -44.455
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -498.851549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.851549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.851549 (E_RNA)
where:
Base-Base interactions energy: -319.007
where: short stacking energy: -160.642
Base-Backbone interact. energy: 1.390
local terms energy: -181.234253
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -474.231552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.231552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.231552 (E_RNA)
where:
Base-Base interactions energy: -306.490
where: short stacking energy: -137.986
Base-Backbone interact. energy: -0.327
local terms energy: -167.415009
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -42.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -336.952964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.952964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.952964 (E_RNA)
where:
Base-Base interactions energy: -190.418
where: short stacking energy: -107.318
Base-Backbone interact. energy: -0.322
local terms energy: -146.213087
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -35.647
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -409.889933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.889933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.889933 (E_RNA)
where:
Base-Base interactions energy: -262.272
where: short stacking energy: -110.529
Base-Backbone interact. energy: -0.187
local terms energy: -147.430900
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -25.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -328.811454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.811454 (E_RNA)
where:
Base-Base interactions energy: -190.341
where: short stacking energy: -97.542
Base-Backbone interact. energy: -0.411
local terms energy: -138.059609
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -284.078176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.078176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.078176 (E_RNA)
where:
Base-Base interactions energy: -159.560
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.122
local terms energy: -124.396246
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -308.174152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.174152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.174152 (E_RNA)
where:
Base-Base interactions energy: -171.217
where: short stacking energy: -93.346
Base-Backbone interact. energy: 0.619
local terms energy: -137.576720
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -32.875
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -165.802028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.802028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.802028 (E_RNA)
where:
Base-Base interactions energy: -61.426
where: short stacking energy: -56.867
Base-Backbone interact. energy: 0.253
local terms energy: -104.629143
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -573.641119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.641119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.641119 (E_RNA)
where:
Base-Base interactions energy: -377.923
where: short stacking energy: -184.749
Base-Backbone interact. energy: -0.007
local terms energy: -195.711036
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -57.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -500.494632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.494632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.494632 (E_RNA)
where:
Base-Base interactions energy: -323.459
where: short stacking energy: -162.332
Base-Backbone interact. energy: -0.379
local terms energy: -176.657148
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -36.001
flat angles P-C4'-P energy: -32.655
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -503.973320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.973320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.973320 (E_RNA)
where:
Base-Base interactions energy: -328.212
where: short stacking energy: -163.036
Base-Backbone interact. energy: -0.381
local terms energy: -175.380836
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -488.778809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.778809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.778809 (E_RNA)
where:
Base-Base interactions energy: -325.858
where: short stacking energy: -149.350
Base-Backbone interact. energy: 1.142
local terms energy: -164.062691
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -43.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -414.284288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.284288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.284288 (E_RNA)
where:
Base-Base interactions energy: -272.312
where: short stacking energy: -122.497
Base-Backbone interact. energy: -2.182
local terms energy: -139.790427
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -331.116870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.116870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.116870 (E_RNA)
where:
Base-Base interactions energy: -188.160
where: short stacking energy: -108.769
Base-Backbone interact. energy: -0.369
local terms energy: -142.588826
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -327.162478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.162478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.162478 (E_RNA)
where:
Base-Base interactions energy: -192.108
where: short stacking energy: -108.246
Base-Backbone interact. energy: -0.151
local terms energy: -134.902868
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -219.769183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.769183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.769183 (E_RNA)
where:
Base-Base interactions energy: -95.827
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.361
local terms energy: -123.581078
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -316.752434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.752434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.752434 (E_RNA)
where:
Base-Base interactions energy: -181.346
where: short stacking energy: -91.863
Base-Backbone interact. energy: 3.633
local terms energy: -139.039870
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -159.894619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.894619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.894619 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -27.589
Base-Backbone interact. energy: -0.811
local terms energy: -107.661488
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: 8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -582.906818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.906818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.906818 (E_RNA)
where:
Base-Base interactions energy: -390.605
where: short stacking energy: -193.106
Base-Backbone interact. energy: -0.005
local terms energy: -192.297315
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -58.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -536.163021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.163021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.163021 (E_RNA)
where:
Base-Base interactions energy: -346.154
where: short stacking energy: -163.677
Base-Backbone interact. energy: -0.138
local terms energy: -189.870885
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -30.377
tors. eta vs tors. theta energy: -48.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -504.535396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.535396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.535396 (E_RNA)
where:
Base-Base interactions energy: -330.545
where: short stacking energy: -151.129
Base-Backbone interact. energy: -0.039
local terms energy: -173.951298
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -48.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -479.856605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.856605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.856605 (E_RNA)
where:
Base-Base interactions energy: -323.864
where: short stacking energy: -166.786
Base-Backbone interact. energy: -0.124
local terms energy: -155.868622
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -47.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -412.389196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.389196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.389196 (E_RNA)
where:
Base-Base interactions energy: -264.416
where: short stacking energy: -109.278
Base-Backbone interact. energy: -1.060
local terms energy: -146.913928
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -337.505946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.505946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.505946 (E_RNA)
where:
Base-Base interactions energy: -189.981
where: short stacking energy: -100.293
Base-Backbone interact. energy: 0.354
local terms energy: -147.879419
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -321.710329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.710329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.710329 (E_RNA)
where:
Base-Base interactions energy: -188.363
where: short stacking energy: -80.307
Base-Backbone interact. energy: -0.306
local terms energy: -133.041441
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -300.585865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.585865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.585865 (E_RNA)
where:
Base-Base interactions energy: -186.757
where: short stacking energy: -92.065
Base-Backbone interact. energy: -0.259
local terms energy: -113.570180
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -218.037020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.037020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.037020 (E_RNA)
where:
Base-Base interactions energy: -114.258
where: short stacking energy: -61.571
Base-Backbone interact. energy: 0.558
local terms energy: -104.336680
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -146.954778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.954778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.954778 (E_RNA)
where:
Base-Base interactions energy: -49.294
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.969
local terms energy: -96.691336
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -576.902560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.902560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.902560 (E_RNA)
where:
Base-Base interactions energy: -382.231
where: short stacking energy: -192.320
Base-Backbone interact. energy: -0.095
local terms energy: -194.576114
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -30.075
tors. eta vs tors. theta energy: -58.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -534.451633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.451633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.451633 (E_RNA)
where:
Base-Base interactions energy: -363.281
where: short stacking energy: -177.980
Base-Backbone interact. energy: -0.191
local terms energy: -170.980119
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -34.267
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -47.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -498.155124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.155124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.155124 (E_RNA)
where:
Base-Base interactions energy: -326.410
where: short stacking energy: -170.116
Base-Backbone interact. energy: 0.157
local terms energy: -171.902635
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -37.919
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -52.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -459.075154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.075154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.075154 (E_RNA)
where:
Base-Base interactions energy: -292.074
where: short stacking energy: -138.442
Base-Backbone interact. energy: 1.377
local terms energy: -168.378199
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -33.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -403.590790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.590790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.590790 (E_RNA)
where:
Base-Base interactions energy: -255.872
where: short stacking energy: -114.162
Base-Backbone interact. energy: -0.618
local terms energy: -147.100112
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -24.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -333.845163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.845163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.845163 (E_RNA)
where:
Base-Base interactions energy: -195.283
where: short stacking energy: -107.459
Base-Backbone interact. energy: -0.688
local terms energy: -137.874295
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -325.792278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.792278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.792278 (E_RNA)
where:
Base-Base interactions energy: -190.881
where: short stacking energy: -93.910
Base-Backbone interact. energy: -1.220
local terms energy: -133.691446
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -315.737932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.737932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.737932 (E_RNA)
where:
Base-Base interactions energy: -178.970
where: short stacking energy: -96.152
Base-Backbone interact. energy: -0.109
local terms energy: -136.659127
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -225.694889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.694889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.694889 (E_RNA)
where:
Base-Base interactions energy: -123.387
where: short stacking energy: -51.484
Base-Backbone interact. energy: -1.974
local terms energy: -100.333962
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -164.412868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.412868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.412868 (E_RNA)
where:
Base-Base interactions energy: -58.336
where: short stacking energy: -57.043
Base-Backbone interact. energy: -0.454
local terms energy: -105.622435
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -578.497201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.497201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.497201 (E_RNA)
where:
Base-Base interactions energy: -383.118
where: short stacking energy: -177.862
Base-Backbone interact. energy: -0.204
local terms energy: -195.174974
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -55.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -526.027961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.027961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.027961 (E_RNA)
where:
Base-Base interactions energy: -328.700
where: short stacking energy: -169.888
Base-Backbone interact. energy: -0.007
local terms energy: -197.320804
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -33.838
tors. eta vs tors. theta energy: -58.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -511.412542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.412542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.412542 (E_RNA)
where:
Base-Base interactions energy: -333.386
where: short stacking energy: -153.126
Base-Backbone interact. energy: -0.733
local terms energy: -177.293665
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -49.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -410.698604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.698604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.698604 (E_RNA)
where:
Base-Base interactions energy: -264.677
where: short stacking energy: -122.516
Base-Backbone interact. energy: -0.908
local terms energy: -145.113546
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -26.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -433.231997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.231997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.231997 (E_RNA)
where:
Base-Base interactions energy: -290.932
where: short stacking energy: -148.374
Base-Backbone interact. energy: -0.452
local terms energy: -141.847892
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -36.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -327.832701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.832701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.832701 (E_RNA)
where:
Base-Base interactions energy: -183.944
where: short stacking energy: -92.573
Base-Backbone interact. energy: 0.416
local terms energy: -144.305118
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -320.263801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.263801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.263801 (E_RNA)
where:
Base-Base interactions energy: -187.084
where: short stacking energy: -98.271
Base-Backbone interact. energy: 0.379
local terms energy: -133.559508
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -312.105697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.105697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.105697 (E_RNA)
where:
Base-Base interactions energy: -180.492
where: short stacking energy: -93.868
Base-Backbone interact. energy: 0.363
local terms energy: -131.977002
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -182.091523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.091523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.091523 (E_RNA)
where:
Base-Base interactions energy: -67.493
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.464
local terms energy: -114.134060
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -152.508164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.508164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.508164 (E_RNA)
where:
Base-Base interactions energy: -49.053
where: short stacking energy: -32.555
Base-Backbone interact. energy: -1.623
local terms energy: -101.831792
where:
bonds (distance) C4'-P energy: -35.286
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: 8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -580.605387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.605387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.605387 (E_RNA)
where:
Base-Base interactions energy: -376.891
where: short stacking energy: -185.773
Base-Backbone interact. energy: -0.135
local terms energy: -203.578781
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -59.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -513.257616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.257616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.257616 (E_RNA)
where:
Base-Base interactions energy: -329.913
where: short stacking energy: -167.771
Base-Backbone interact. energy: -0.276
local terms energy: -183.068856
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -46.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -484.179745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.179745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.179745 (E_RNA)
where:
Base-Base interactions energy: -320.786
where: short stacking energy: -157.791
Base-Backbone interact. energy: -1.447
local terms energy: -161.946527
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -37.627
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -44.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -427.999777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.999777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.999777 (E_RNA)
where:
Base-Base interactions energy: -267.623
where: short stacking energy: -122.244
Base-Backbone interact. energy: -0.551
local terms energy: -159.825328
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -31.943
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -442.233667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.233667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.233667 (E_RNA)
where:
Base-Base interactions energy: -267.085
where: short stacking energy: -134.918
Base-Backbone interact. energy: -0.154
local terms energy: -174.993746
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -42.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -331.272917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.272917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.272917 (E_RNA)
where:
Base-Base interactions energy: -201.959
where: short stacking energy: -101.857
Base-Backbone interact. energy: -1.139
local terms energy: -128.174253
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -332.695172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.695172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.695172 (E_RNA)
where:
Base-Base interactions energy: -206.375
where: short stacking energy: -107.817
Base-Backbone interact. energy: -0.574
local terms energy: -125.746110
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -307.463724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.463724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.463724 (E_RNA)
where:
Base-Base interactions energy: -164.639
where: short stacking energy: -88.794
Base-Backbone interact. energy: -0.295
local terms energy: -142.529875
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -223.650653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.650653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.650653 (E_RNA)
where:
Base-Base interactions energy: -104.807
where: short stacking energy: -77.836
Base-Backbone interact. energy: 0.115
local terms energy: -118.958791
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -152.896882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.896882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.896882 (E_RNA)
where:
Base-Base interactions energy: -70.040
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.602
local terms energy: -82.254444
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -582.647868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.647868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.647868 (E_RNA)
where:
Base-Base interactions energy: -389.444
where: short stacking energy: -188.780
Base-Backbone interact. energy: 1.084
local terms energy: -194.287444
where:
bonds (distance) C4'-P energy: -36.389
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -58.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -529.317334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.317334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.317334 (E_RNA)
where:
Base-Base interactions energy: -342.104
where: short stacking energy: -163.026
Base-Backbone interact. energy: -0.031
local terms energy: -187.183245
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -54.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -494.008471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.008471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.008471 (E_RNA)
where:
Base-Base interactions energy: -328.869
where: short stacking energy: -144.652
Base-Backbone interact. energy: -0.379
local terms energy: -164.760778
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -37.052
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -37.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -447.242088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.242088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.242088 (E_RNA)
where:
Base-Base interactions energy: -285.915
where: short stacking energy: -148.044
Base-Backbone interact. energy: -0.378
local terms energy: -160.949188
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -38.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -393.204664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.204664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.204664 (E_RNA)
where:
Base-Base interactions energy: -252.838
where: short stacking energy: -113.783
Base-Backbone interact. energy: -1.356
local terms energy: -139.011376
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -343.869473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.869473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.869473 (E_RNA)
where:
Base-Base interactions energy: -206.259
where: short stacking energy: -107.870
Base-Backbone interact. energy: 2.167
local terms energy: -139.777005
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -318.061546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.061546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.061546 (E_RNA)
where:
Base-Base interactions energy: -176.494
where: short stacking energy: -93.750
Base-Backbone interact. energy: -0.772
local terms energy: -140.795383
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -316.533060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.533060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.533060 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.423
local terms energy: -127.588026
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -171.209741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.209741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.209741 (E_RNA)
where:
Base-Base interactions energy: -58.598
where: short stacking energy: -51.917
Base-Backbone interact. energy: -1.180
local terms energy: -111.431103
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -35.048
flat angles C4'-P-C4' energy: -36.549
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -166.408995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.408995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.408995 (E_RNA)
where:
Base-Base interactions energy: -53.536
where: short stacking energy: -44.320
Base-Backbone interact. energy: -0.872
local terms energy: -112.000617
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -594.599389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.599389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.599389 (E_RNA)
where:
Base-Base interactions energy: -398.212
where: short stacking energy: -193.207
Base-Backbone interact. energy: -0.006
local terms energy: -196.381629
where:
bonds (distance) C4'-P energy: -35.145
bonds (distance) P-C4' energy: -41.339
flat angles C4'-P-C4' energy: -37.662
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -59.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -528.124083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.124083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.124083 (E_RNA)
where:
Base-Base interactions energy: -340.588
where: short stacking energy: -174.869
Base-Backbone interact. energy: -0.771
local terms energy: -186.765007
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -58.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -468.122713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.122713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.122713 (E_RNA)
where:
Base-Base interactions energy: -299.692
where: short stacking energy: -154.537
Base-Backbone interact. energy: -0.600
local terms energy: -167.830058
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -28.605
tors. eta vs tors. theta energy: -49.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -487.374172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.374172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.374172 (E_RNA)
where:
Base-Base interactions energy: -314.591
where: short stacking energy: -137.215
Base-Backbone interact. energy: -1.030
local terms energy: -171.753260
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -33.691
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -42.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -389.102987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.102987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.102987 (E_RNA)
where:
Base-Base interactions energy: -247.837
where: short stacking energy: -109.985
Base-Backbone interact. energy: -0.680
local terms energy: -140.586503
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -333.383936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.383936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.383936 (E_RNA)
where:
Base-Base interactions energy: -197.027
where: short stacking energy: -105.358
Base-Backbone interact. energy: -0.445
local terms energy: -135.912464
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -322.204479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.204479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.204479 (E_RNA)
where:
Base-Base interactions energy: -178.751
where: short stacking energy: -88.296
Base-Backbone interact. energy: -0.810
local terms energy: -142.643629
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -309.644336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.644336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.644336 (E_RNA)
where:
Base-Base interactions energy: -172.415
where: short stacking energy: -100.360
Base-Backbone interact. energy: 0.148
local terms energy: -137.377358
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -30.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -174.925382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.925382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.925382 (E_RNA)
where:
Base-Base interactions energy: -80.468
where: short stacking energy: -56.260
Base-Backbone interact. energy: -1.437
local terms energy: -93.019620
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: 4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -152.692947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.692947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.692947 (E_RNA)
where:
Base-Base interactions energy: -48.424
where: short stacking energy: -41.225
Base-Backbone interact. energy: 0.054
local terms energy: -104.323505
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -578.319755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.319755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.319755 (E_RNA)
where:
Base-Base interactions energy: -382.889
where: short stacking energy: -183.473
Base-Backbone interact. energy: 0.203
local terms energy: -195.633090
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -40.442
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -56.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -517.433730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.433730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.433730 (E_RNA)
where:
Base-Base interactions energy: -330.654
where: short stacking energy: -158.585
Base-Backbone interact. energy: -0.047
local terms energy: -186.733423
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -53.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -470.888318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.888318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.888318 (E_RNA)
where:
Base-Base interactions energy: -300.155
where: short stacking energy: -143.538
Base-Backbone interact. energy: -0.051
local terms energy: -170.681965
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -35.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -488.221306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.221306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.221306 (E_RNA)
where:
Base-Base interactions energy: -312.332
where: short stacking energy: -155.229
Base-Backbone interact. energy: -0.251
local terms energy: -175.638201
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -47.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -377.978795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.978795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.978795 (E_RNA)
where:
Base-Base interactions energy: -236.117
where: short stacking energy: -114.536
Base-Backbone interact. energy: 0.726
local terms energy: -142.588659
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -360.152959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.152959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.152959 (E_RNA)
where:
Base-Base interactions energy: -205.810
where: short stacking energy: -114.194
Base-Backbone interact. energy: -0.329
local terms energy: -154.014870
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -321.616972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.616972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.616972 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -98.446
Base-Backbone interact. energy: -0.232
local terms energy: -133.080975
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -247.484389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.484389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.484389 (E_RNA)
where:
Base-Base interactions energy: -129.466
where: short stacking energy: -75.289
Base-Backbone interact. energy: -0.534
local terms energy: -117.484272
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -159.334425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.334425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.334425 (E_RNA)
where:
Base-Base interactions energy: -61.911
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.037
local terms energy: -97.386234
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -155.106367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.106367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.106367 (E_RNA)
where:
Base-Base interactions energy: -61.570
where: short stacking energy: -56.510
Base-Backbone interact. energy: 0.154
local terms energy: -93.690936
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -566.112162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.112162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.112162 (E_RNA)
where:
Base-Base interactions energy: -372.986
where: short stacking energy: -186.831
Base-Backbone interact. energy: -0.194
local terms energy: -192.932588
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -58.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -537.358678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.358678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.358678 (E_RNA)
where:
Base-Base interactions energy: -348.919
where: short stacking energy: -180.485
Base-Backbone interact. energy: -0.639
local terms energy: -187.800309
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -53.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -488.069584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.069584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.069584 (E_RNA)
where:
Base-Base interactions energy: -324.822
where: short stacking energy: -153.103
Base-Backbone interact. energy: -0.446
local terms energy: -162.801706
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -468.912747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.912747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.912747 (E_RNA)
where:
Base-Base interactions energy: -301.632
where: short stacking energy: -154.974
Base-Backbone interact. energy: -0.233
local terms energy: -167.047824
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -377.966841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.966841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.966841 (E_RNA)
where:
Base-Base interactions energy: -236.536
where: short stacking energy: -118.678
Base-Backbone interact. energy: -0.681
local terms energy: -140.749746
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -343.420292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.420292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.420292 (E_RNA)
where:
Base-Base interactions energy: -205.376
where: short stacking energy: -104.237
Base-Backbone interact. energy: -0.671
local terms energy: -137.372627
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -37.887
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -343.575762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.575762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.575762 (E_RNA)
where:
Base-Base interactions energy: -199.046
where: short stacking energy: -105.708
Base-Backbone interact. energy: -0.776
local terms energy: -143.754208
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -259.247439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.247439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.247439 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.589
local terms energy: -120.060173
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -171.133394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.133394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.133394 (E_RNA)
where:
Base-Base interactions energy: -69.644
where: short stacking energy: -51.626
Base-Backbone interact. energy: 1.438
local terms energy: -102.927607
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -162.259035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.259035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.259035 (E_RNA)
where:
Base-Base interactions energy: -69.355
where: short stacking energy: -41.808
Base-Backbone interact. energy: -0.617
local terms energy: -92.286355
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: 5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -582.772181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.772181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.772181 (E_RNA)
where:
Base-Base interactions energy: -384.108
where: short stacking energy: -188.657
Base-Backbone interact. energy: -0.187
local terms energy: -198.477607
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -37.196
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -58.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -514.468562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.468562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.468562 (E_RNA)
where:
Base-Base interactions energy: -346.477
where: short stacking energy: -160.632
Base-Backbone interact. energy: -0.675
local terms energy: -167.316531
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -45.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -505.034311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.034311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.034311 (E_RNA)
where:
Base-Base interactions energy: -323.555
where: short stacking energy: -157.393
Base-Backbone interact. energy: 2.199
local terms energy: -183.678393
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -51.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -476.911718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.911718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.911718 (E_RNA)
where:
Base-Base interactions energy: -303.110
where: short stacking energy: -156.171
Base-Backbone interact. energy: -0.158
local terms energy: -173.644421
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -51.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -378.329831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.329831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.329831 (E_RNA)
where:
Base-Base interactions energy: -223.894
where: short stacking energy: -117.549
Base-Backbone interact. energy: 1.073
local terms energy: -155.509006
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -349.671323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.671323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.671323 (E_RNA)
where:
Base-Base interactions energy: -210.684
where: short stacking energy: -117.135
Base-Backbone interact. energy: -1.574
local terms energy: -137.413016
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -33.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -335.911959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.911959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.911959 (E_RNA)
where:
Base-Base interactions energy: -194.987
where: short stacking energy: -91.310
Base-Backbone interact. energy: -1.544
local terms energy: -139.381085
where:
bonds (distance) C4'-P energy: -33.447
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -24.094
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -282.906249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.906249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.906249 (E_RNA)
where:
Base-Base interactions energy: -164.898
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.654
local terms energy: -117.354802
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -172.890307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.890307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.890307 (E_RNA)
where:
Base-Base interactions energy: -79.279
where: short stacking energy: -66.369
Base-Backbone interact. energy: 0.334
local terms energy: -93.945792
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -156.171970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.171970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.171970 (E_RNA)
where:
Base-Base interactions energy: -70.664
where: short stacking energy: -46.369
Base-Backbone interact. energy: -0.941
local terms energy: -84.567599
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -579.267659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.267659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.267659 (E_RNA)
where:
Base-Base interactions energy: -368.970
where: short stacking energy: -184.306
Base-Backbone interact. energy: 0.155
local terms energy: -210.452771
where:
bonds (distance) C4'-P energy: -39.282
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -44.223
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -513.214707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.214707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.214707 (E_RNA)
where:
Base-Base interactions energy: -325.790
where: short stacking energy: -165.814
Base-Backbone interact. energy: -0.251
local terms energy: -187.173878
where:
bonds (distance) C4'-P energy: -36.611
bonds (distance) P-C4' energy: -34.916
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -50.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -488.849043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.849043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.849043 (E_RNA)
where:
Base-Base interactions energy: -304.833
where: short stacking energy: -155.654
Base-Backbone interact. energy: -0.141
local terms energy: -183.875003
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -28.499
tors. eta vs tors. theta energy: -49.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -455.511597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.511597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.511597 (E_RNA)
where:
Base-Base interactions energy: -287.196
where: short stacking energy: -141.268
Base-Backbone interact. energy: -0.064
local terms energy: -168.251710
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -41.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -390.644884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.644884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.644884 (E_RNA)
where:
Base-Base interactions energy: -234.810
where: short stacking energy: -121.340
Base-Backbone interact. energy: -0.623
local terms energy: -155.211778
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -344.983558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.983558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.983558 (E_RNA)
where:
Base-Base interactions energy: -201.616
where: short stacking energy: -95.168
Base-Backbone interact. energy: -0.240
local terms energy: -143.128024
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -327.521184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.521184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.521184 (E_RNA)
where:
Base-Base interactions energy: -194.449
where: short stacking energy: -86.814
Base-Backbone interact. energy: -0.211
local terms energy: -132.860857
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -280.805344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.805344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.805344 (E_RNA)
where:
Base-Base interactions energy: -160.233
where: short stacking energy: -81.518
Base-Backbone interact. energy: -1.865
local terms energy: -118.706686
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -165.864970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.864970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.864970 (E_RNA)
where:
Base-Base interactions energy: -65.264
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.274
local terms energy: -100.327205
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -170.004582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.004582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.004582 (E_RNA)
where:
Base-Base interactions energy: -66.321
where: short stacking energy: -45.302
Base-Backbone interact. energy: 0.446
local terms energy: -104.129300
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -592.668633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.668633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.668633 (E_RNA)
where:
Base-Base interactions energy: -389.190
where: short stacking energy: -189.835
Base-Backbone interact. energy: -0.001
local terms energy: -203.477530
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -61.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -509.524412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.524412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.524412 (E_RNA)
where:
Base-Base interactions energy: -330.504
where: short stacking energy: -155.733
Base-Backbone interact. energy: -0.350
local terms energy: -178.670838
where:
bonds (distance) C4'-P energy: -34.791
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -48.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -506.736481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.736481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.736481 (E_RNA)
where:
Base-Base interactions energy: -332.443
where: short stacking energy: -168.993
Base-Backbone interact. energy: -0.140
local terms energy: -174.154459
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -51.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -482.353633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.353633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.353633 (E_RNA)
where:
Base-Base interactions energy: -307.322
where: short stacking energy: -154.904
Base-Backbone interact. energy: -0.054
local terms energy: -174.977412
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -393.462007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.462007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.462007 (E_RNA)
where:
Base-Base interactions energy: -244.096
where: short stacking energy: -117.640
Base-Backbone interact. energy: -0.373
local terms energy: -148.992803
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -30.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -330.817900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.817900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.817900 (E_RNA)
where:
Base-Base interactions energy: -192.438
where: short stacking energy: -100.266
Base-Backbone interact. energy: 0.380
local terms energy: -138.760340
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -26.975
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -317.521155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.521155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.521155 (E_RNA)
where:
Base-Base interactions energy: -181.090
where: short stacking energy: -95.819
Base-Backbone interact. energy: 2.325
local terms energy: -138.755429
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -304.673829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.673829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.673829 (E_RNA)
where:
Base-Base interactions energy: -192.136
where: short stacking energy: -95.013
Base-Backbone interact. energy: -0.889
local terms energy: -111.649771
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -173.320725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.320725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.320725 (E_RNA)
where:
Base-Base interactions energy: -68.895
where: short stacking energy: -33.466
Base-Backbone interact. energy: -0.251
local terms energy: -104.174123
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -156.239864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.239864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.239864 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -41.960
Base-Backbone interact. energy: -1.536
local terms energy: -111.051411
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -591.505035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.505035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.505035 (E_RNA)
where:
Base-Base interactions energy: -398.111
where: short stacking energy: -183.256
Base-Backbone interact. energy: -0.188
local terms energy: -193.206406
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -34.092
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -539.269123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.269123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.269123 (E_RNA)
where:
Base-Base interactions energy: -342.411
where: short stacking energy: -167.430
Base-Backbone interact. energy: -1.024
local terms energy: -195.833665
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -54.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -497.278364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.278364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.278364 (E_RNA)
where:
Base-Base interactions energy: -319.564
where: short stacking energy: -157.829
Base-Backbone interact. energy: -0.230
local terms energy: -177.484058
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -466.771422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.771422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.771422 (E_RNA)
where:
Base-Base interactions energy: -294.777
where: short stacking energy: -145.987
Base-Backbone interact. energy: -1.067
local terms energy: -170.927139
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -416.337123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.337123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.337123 (E_RNA)
where:
Base-Base interactions energy: -265.544
where: short stacking energy: -120.132
Base-Backbone interact. energy: -2.116
local terms energy: -148.676292
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -33.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -347.199536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.199536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.199536 (E_RNA)
where:
Base-Base interactions energy: -198.147
where: short stacking energy: -94.402
Base-Backbone interact. energy: -0.413
local terms energy: -148.638953
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -26.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -335.086855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.086855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.086855 (E_RNA)
where:
Base-Base interactions energy: -191.319
where: short stacking energy: -92.747
Base-Backbone interact. energy: 0.365
local terms energy: -144.133118
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -336.054912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.054912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.054912 (E_RNA)
where:
Base-Base interactions energy: -200.925
where: short stacking energy: -109.992
Base-Backbone interact. energy: -0.418
local terms energy: -134.711755
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -35.820
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -165.139440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.139440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.139440 (E_RNA)
where:
Base-Base interactions energy: -64.184
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.695
local terms energy: -100.260430
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -168.867180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.867180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.867180 (E_RNA)
where:
Base-Base interactions energy: -71.668
where: short stacking energy: -58.597
Base-Backbone interact. energy: 2.093
local terms energy: -99.292485
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -590.015377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.015377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.015377 (E_RNA)
where:
Base-Base interactions energy: -389.289
where: short stacking energy: -181.931
Base-Backbone interact. energy: -0.142
local terms energy: -200.584521
where:
bonds (distance) C4'-P energy: -35.101
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -58.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -527.791367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.791367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.791367 (E_RNA)
where:
Base-Base interactions energy: -338.777
where: short stacking energy: -163.951
Base-Backbone interact. energy: -0.410
local terms energy: -188.604804
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -36.946
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -51.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -492.211244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.211244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.211244 (E_RNA)
where:
Base-Base interactions energy: -313.897
where: short stacking energy: -151.029
Base-Backbone interact. energy: -1.243
local terms energy: -177.071205
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -45.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -479.483232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.483232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.483232 (E_RNA)
where:
Base-Base interactions energy: -295.091
where: short stacking energy: -148.507
Base-Backbone interact. energy: -0.535
local terms energy: -183.857710
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -48.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -428.918543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.918543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.918543 (E_RNA)
where:
Base-Base interactions energy: -284.293
where: short stacking energy: -114.272
Base-Backbone interact. energy: 1.308
local terms energy: -145.932979
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -26.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -342.541715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.541715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.541715 (E_RNA)
where:
Base-Base interactions energy: -213.079
where: short stacking energy: -98.366
Base-Backbone interact. energy: -0.280
local terms energy: -129.182664
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -323.557824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.557824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.557824 (E_RNA)
where:
Base-Base interactions energy: -185.812
where: short stacking energy: -95.101
Base-Backbone interact. energy: -2.533
local terms energy: -135.212639
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -322.232076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.232076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.232076 (E_RNA)
where:
Base-Base interactions energy: -201.675
where: short stacking energy: -110.316
Base-Backbone interact. energy: 3.315
local terms energy: -123.871306
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -30.303
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -165.333277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.333277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.333277 (E_RNA)
where:
Base-Base interactions energy: -68.557
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.673
local terms energy: -96.103117
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -177.007726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007726 (E_RNA)
where:
Base-Base interactions energy: -82.085
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.466
local terms energy: -94.456776
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -597.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.944487 (E_RNA)
where:
Base-Base interactions energy: -407.550
where: short stacking energy: -188.667
Base-Backbone interact. energy: -0.726
local terms energy: -189.668954
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -58.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -523.082521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.082521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.082521 (E_RNA)
where:
Base-Base interactions energy: -339.136
where: short stacking energy: -152.130
Base-Backbone interact. energy: 0.137
local terms energy: -184.083758
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -50.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -495.132099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.132099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.132099 (E_RNA)
where:
Base-Base interactions energy: -328.073
where: short stacking energy: -152.060
Base-Backbone interact. energy: 4.229
local terms energy: -171.288434
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -42.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -466.706571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.706571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.706571 (E_RNA)
where:
Base-Base interactions energy: -293.903
where: short stacking energy: -151.157
Base-Backbone interact. energy: -0.097
local terms energy: -172.706084
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -48.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -413.757208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.757208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.757208 (E_RNA)
where:
Base-Base interactions energy: -272.092
where: short stacking energy: -113.124
Base-Backbone interact. energy: 0.983
local terms energy: -142.648950
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -349.712771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.712771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.712771 (E_RNA)
where:
Base-Base interactions energy: -201.665
where: short stacking energy: -99.186
Base-Backbone interact. energy: -1.440
local terms energy: -146.607943
where:
bonds (distance) C4'-P energy: -33.590
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -320.504578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.504578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.504578 (E_RNA)
where:
Base-Base interactions energy: -186.375
where: short stacking energy: -99.564
Base-Backbone interact. energy: -0.998
local terms energy: -133.132054
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -311.792452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.792452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.792452 (E_RNA)
where:
Base-Base interactions energy: -190.042
where: short stacking energy: -90.446
Base-Backbone interact. energy: -1.385
local terms energy: -120.365790
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -178.506836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.506836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.506836 (E_RNA)
where:
Base-Base interactions energy: -62.169
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.213
local terms energy: -116.124386
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -160.781409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.781409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.781409 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -53.348
Base-Backbone interact. energy: 5.057
local terms energy: -112.408258
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -580.795202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.795202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.795202 (E_RNA)
where:
Base-Base interactions energy: -394.846
where: short stacking energy: -194.197
Base-Backbone interact. energy: -0.251
local terms energy: -185.698516
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -62.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -508.053973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.053973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.053973 (E_RNA)
where:
Base-Base interactions energy: -318.917
where: short stacking energy: -149.277
Base-Backbone interact. energy: -0.447
local terms energy: -188.689980
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -39.472
flat angles C4'-P-C4' energy: -41.381
flat angles P-C4'-P energy: -30.044
tors. eta vs tors. theta energy: -44.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -506.113650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.113650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.113650 (E_RNA)
where:
Base-Base interactions energy: -323.475
where: short stacking energy: -154.228
Base-Backbone interact. energy: -0.024
local terms energy: -182.615109
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -39.252
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -47.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -446.955443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.955443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.955443 (E_RNA)
where:
Base-Base interactions energy: -278.617
where: short stacking energy: -137.064
Base-Backbone interact. energy: -1.474
local terms energy: -166.863708
where:
bonds (distance) C4'-P energy: -37.884
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -38.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -417.657697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.657697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.657697 (E_RNA)
where:
Base-Base interactions energy: -274.874
where: short stacking energy: -123.477
Base-Backbone interact. energy: -0.862
local terms energy: -141.921209
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -329.299616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.299616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.299616 (E_RNA)
where:
Base-Base interactions energy: -187.794
where: short stacking energy: -99.679
Base-Backbone interact. energy: 1.388
local terms energy: -142.893723
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -326.641071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.641071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.641071 (E_RNA)
where:
Base-Base interactions energy: -173.348
where: short stacking energy: -83.534
Base-Backbone interact. energy: -0.317
local terms energy: -152.975621
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -305.079499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.079499 (E_RNA)
where:
Base-Base interactions energy: -172.893
where: short stacking energy: -79.632
Base-Backbone interact. energy: -2.487
local terms energy: -129.699381
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -40.218
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -166.499554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.499554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.499554 (E_RNA)
where:
Base-Base interactions energy: -66.153
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.682
local terms energy: -99.664432
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: 2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -155.056285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.056285 (E_RNA)
where:
Base-Base interactions energy: -58.151
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.327
local terms energy: -96.577968
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: 8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -596.912591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.912591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.912591 (E_RNA)
where:
Base-Base interactions energy: -398.185
where: short stacking energy: -180.891
Base-Backbone interact. energy: -0.108
local terms energy: -198.619641
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -40.350
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -507.196975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.196975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.196975 (E_RNA)
where:
Base-Base interactions energy: -317.829
where: short stacking energy: -147.865
Base-Backbone interact. energy: -0.017
local terms energy: -189.351333
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -43.828
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -45.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -501.280911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.280911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.280911 (E_RNA)
where:
Base-Base interactions energy: -334.210
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.505
local terms energy: -166.566714
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -447.774082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.774082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.774082 (E_RNA)
where:
Base-Base interactions energy: -280.230
where: short stacking energy: -148.939
Base-Backbone interact. energy: -0.080
local terms energy: -167.463733
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -39.209
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -43.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -428.490835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.490835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.490835 (E_RNA)
where:
Base-Base interactions energy: -278.808
where: short stacking energy: -128.901
Base-Backbone interact. energy: -1.290
local terms energy: -148.393221
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -33.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -347.512763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.512763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.512763 (E_RNA)
where:
Base-Base interactions energy: -205.687
where: short stacking energy: -105.946
Base-Backbone interact. energy: -0.556
local terms energy: -141.270331
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -326.049525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.049525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.049525 (E_RNA)
where:
Base-Base interactions energy: -178.307
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.483
local terms energy: -147.259472
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -30.504
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -300.738402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.738402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.738402 (E_RNA)
where:
Base-Base interactions energy: -168.626
where: short stacking energy: -86.198
Base-Backbone interact. energy: 0.525
local terms energy: -132.637471
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -180.080355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.080355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.080355 (E_RNA)
where:
Base-Base interactions energy: -72.886
where: short stacking energy: -56.683
Base-Backbone interact. energy: -1.099
local terms energy: -106.095065
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: 4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -157.386740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.386740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.386740 (E_RNA)
where:
Base-Base interactions energy: -71.443
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.375
local terms energy: -85.569425
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -574.646866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.646866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.646866 (E_RNA)
where:
Base-Base interactions energy: -377.937
where: short stacking energy: -180.028
Base-Backbone interact. energy: -0.123
local terms energy: -196.586067
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -41.787
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -56.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -539.172674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.172674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.172674 (E_RNA)
where:
Base-Base interactions energy: -354.642
where: short stacking energy: -155.337
Base-Backbone interact. energy: -0.237
local terms energy: -184.294019
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -53.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -496.306446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.306446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.306446 (E_RNA)
where:
Base-Base interactions energy: -318.564
where: short stacking energy: -160.179
Base-Backbone interact. energy: 0.875
local terms energy: -178.617229
where:
bonds (distance) C4'-P energy: -36.546
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -48.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -443.712683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.712683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.712683 (E_RNA)
where:
Base-Base interactions energy: -282.069
where: short stacking energy: -144.817
Base-Backbone interact. energy: -0.816
local terms energy: -160.828408
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -39.803
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -421.342693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.342693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.342693 (E_RNA)
where:
Base-Base interactions energy: -268.170
where: short stacking energy: -118.025
Base-Backbone interact. energy: -0.720
local terms energy: -152.452310
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -337.246342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.246342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.246342 (E_RNA)
where:
Base-Base interactions energy: -183.142
where: short stacking energy: -97.113
Base-Backbone interact. energy: -1.409
local terms energy: -152.695409
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -30.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -358.454622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.454622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.454622 (E_RNA)
where:
Base-Base interactions energy: -210.313
where: short stacking energy: -108.749
Base-Backbone interact. energy: 0.244
local terms energy: -148.385338
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -29.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -294.984956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.984956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.984956 (E_RNA)
where:
Base-Base interactions energy: -162.793
where: short stacking energy: -82.177
Base-Backbone interact. energy: -0.728
local terms energy: -131.464503
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -168.671286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.671286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.671286 (E_RNA)
where:
Base-Base interactions energy: -60.232
where: short stacking energy: -52.362
Base-Backbone interact. energy: -0.636
local terms energy: -107.802962
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -177.516114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.516114 (E_RNA)
where:
Base-Base interactions energy: -70.954
where: short stacking energy: -69.600
Base-Backbone interact. energy: 1.309
local terms energy: -107.871243
where:
bonds (distance) C4'-P energy: -34.029
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -584.044812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.044812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.044812 (E_RNA)
where:
Base-Base interactions energy: -388.716
where: short stacking energy: -182.938
Base-Backbone interact. energy: -0.223
local terms energy: -195.105703
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -60.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -535.191962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.191962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.191962 (E_RNA)
where:
Base-Base interactions energy: -348.650
where: short stacking energy: -161.028
Base-Backbone interact. energy: 0.351
local terms energy: -186.892348
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -50.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -495.678269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.678269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.678269 (E_RNA)
where:
Base-Base interactions energy: -316.253
where: short stacking energy: -154.951
Base-Backbone interact. energy: -0.290
local terms energy: -179.135202
where:
bonds (distance) C4'-P energy: -34.511
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -37.767
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -50.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -457.866341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.866341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.866341 (E_RNA)
where:
Base-Base interactions energy: -283.114
where: short stacking energy: -148.862
Base-Backbone interact. energy: -0.695
local terms energy: -174.056848
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -39.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -416.007450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.007450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.007450 (E_RNA)
where:
Base-Base interactions energy: -253.459
where: short stacking energy: -115.878
Base-Backbone interact. energy: -0.696
local terms energy: -161.852846
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -344.929116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.929116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.929116 (E_RNA)
where:
Base-Base interactions energy: -208.274
where: short stacking energy: -102.615
Base-Backbone interact. energy: -1.397
local terms energy: -135.258156
where:
bonds (distance) C4'-P energy: -36.832
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -332.150975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.150975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.150975 (E_RNA)
where:
Base-Base interactions energy: -195.609
where: short stacking energy: -97.115
Base-Backbone interact. energy: -0.539
local terms energy: -136.003354
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -29.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -309.122320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.122320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.122320 (E_RNA)
where:
Base-Base interactions energy: -172.312
where: short stacking energy: -78.047
Base-Backbone interact. energy: -0.122
local terms energy: -136.689028
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -167.185031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.185031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.185031 (E_RNA)
where:
Base-Base interactions energy: -66.163
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.324
local terms energy: -100.698496
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: 1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -177.459182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.459182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.459182 (E_RNA)
where:
Base-Base interactions energy: -84.354
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.859
local terms energy: -92.246528
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -569.333911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.333911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.333911 (E_RNA)
where:
Base-Base interactions energy: -373.539
where: short stacking energy: -187.471
Base-Backbone interact. energy: -0.603
local terms energy: -195.191247
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -58.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -514.174549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.174549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.174549 (E_RNA)
where:
Base-Base interactions energy: -331.417
where: short stacking energy: -163.055
Base-Backbone interact. energy: -0.087
local terms energy: -182.670798
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -48.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -527.311100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.311100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.311100 (E_RNA)
where:
Base-Base interactions energy: -350.789
where: short stacking energy: -168.000
Base-Backbone interact. energy: -0.942
local terms energy: -175.580684
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -48.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -428.607261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.607261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.607261 (E_RNA)
where:
Base-Base interactions energy: -276.050
where: short stacking energy: -126.578
Base-Backbone interact. energy: -1.873
local terms energy: -150.683974
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -28.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -423.064746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.064746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.064746 (E_RNA)
where:
Base-Base interactions energy: -260.408
where: short stacking energy: -130.909
Base-Backbone interact. energy: -0.551
local terms energy: -162.105937
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -40.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -346.525118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.525118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.525118 (E_RNA)
where:
Base-Base interactions energy: -207.158
where: short stacking energy: -102.674
Base-Backbone interact. energy: 0.102
local terms energy: -139.469237
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -323.935307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.935307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.935307 (E_RNA)
where:
Base-Base interactions energy: -191.035
where: short stacking energy: -101.950
Base-Backbone interact. energy: -0.531
local terms energy: -132.369673
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -303.807749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.807749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.807749 (E_RNA)
where:
Base-Base interactions energy: -170.088
where: short stacking energy: -88.856
Base-Backbone interact. energy: -0.704
local terms energy: -133.016710
where:
bonds (distance) C4'-P energy: -29.549
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -165.989690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.989690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.989690 (E_RNA)
where:
Base-Base interactions energy: -56.439
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.154
local terms energy: -109.397061
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -157.999730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.999730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.999730 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.846
local terms energy: -121.467490
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: 3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -578.322944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.322944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.322944 (E_RNA)
where:
Base-Base interactions energy: -386.191
where: short stacking energy: -188.447
Base-Backbone interact. energy: -0.621
local terms energy: -191.510861
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -55.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -514.204969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.204969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.204969 (E_RNA)
where:
Base-Base interactions energy: -338.444
where: short stacking energy: -165.229
Base-Backbone interact. energy: 0.058
local terms energy: -175.818072
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -49.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -513.971468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.971468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.971468 (E_RNA)
where:
Base-Base interactions energy: -343.135
where: short stacking energy: -156.477
Base-Backbone interact. energy: -0.144
local terms energy: -170.692033
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -439.834705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.834705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.834705 (E_RNA)
where:
Base-Base interactions energy: -297.913
where: short stacking energy: -135.456
Base-Backbone interact. energy: -1.475
local terms energy: -140.446529
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -32.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -415.170446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.170446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.170446 (E_RNA)
where:
Base-Base interactions energy: -252.386
where: short stacking energy: -130.276
Base-Backbone interact. energy: -0.687
local terms energy: -162.097396
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -364.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.634403 (E_RNA)
where:
Base-Base interactions energy: -218.613
where: short stacking energy: -122.542
Base-Backbone interact. energy: -0.293
local terms energy: -145.728444
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -326.314988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.314988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.314988 (E_RNA)
where:
Base-Base interactions energy: -199.191
where: short stacking energy: -94.139
Base-Backbone interact. energy: 0.606
local terms energy: -127.729700
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -308.248384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.248384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.248384 (E_RNA)
where:
Base-Base interactions energy: -180.521
where: short stacking energy: -90.906
Base-Backbone interact. energy: -0.047
local terms energy: -127.680229
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -171.281701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.281701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.281701 (E_RNA)
where:
Base-Base interactions energy: -61.630
where: short stacking energy: -59.079
Base-Backbone interact. energy: -0.101
local terms energy: -109.551296
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -165.366281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366281 (E_RNA)
where:
Base-Base interactions energy: -54.215
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.497
local terms energy: -110.654271
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -572.603846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.603846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.603846 (E_RNA)
where:
Base-Base interactions energy: -376.694
where: short stacking energy: -188.172
Base-Backbone interact. energy: -0.098
local terms energy: -195.811790
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -58.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -529.393103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.393103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.393103 (E_RNA)
where:
Base-Base interactions energy: -337.555
where: short stacking energy: -159.915
Base-Backbone interact. energy: -0.193
local terms energy: -191.644817
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -27.901
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -491.393042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.393042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.393042 (E_RNA)
where:
Base-Base interactions energy: -326.121
where: short stacking energy: -153.477
Base-Backbone interact. energy: -0.726
local terms energy: -164.545578
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -437.297237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.297237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.297237 (E_RNA)
where:
Base-Base interactions energy: -282.573
where: short stacking energy: -131.392
Base-Backbone interact. energy: -0.569
local terms energy: -154.155307
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -37.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -430.155262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.155262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.155262 (E_RNA)
where:
Base-Base interactions energy: -265.162
where: short stacking energy: -137.564
Base-Backbone interact. energy: -0.217
local terms energy: -164.776014
where:
bonds (distance) C4'-P energy: -34.297
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -37.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -362.672410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.672410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.672410 (E_RNA)
where:
Base-Base interactions energy: -211.584
where: short stacking energy: -91.668
Base-Backbone interact. energy: 0.909
local terms energy: -151.998045
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -325.571817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.571817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.571817 (E_RNA)
where:
Base-Base interactions energy: -194.494
where: short stacking energy: -95.716
Base-Backbone interact. energy: 0.745
local terms energy: -131.823013
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -323.338927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.338927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.338927 (E_RNA)
where:
Base-Base interactions energy: -192.708
where: short stacking energy: -99.460
Base-Backbone interact. energy: 1.054
local terms energy: -131.684562
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -36.036
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -158.481305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.481305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.481305 (E_RNA)
where:
Base-Base interactions energy: -64.393
where: short stacking energy: -55.435
Base-Backbone interact. energy: -1.255
local terms energy: -92.834203
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -157.681700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.681700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.681700 (E_RNA)
where:
Base-Base interactions energy: -53.703
where: short stacking energy: -53.677
Base-Backbone interact. energy: 0.042
local terms energy: -104.021104
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -582.906822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.906822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.906822 (E_RNA)
where:
Base-Base interactions energy: -381.366
where: short stacking energy: -188.751
Base-Backbone interact. energy: -0.778
local terms energy: -200.762827
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -28.734
tors. eta vs tors. theta energy: -59.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -539.026419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.026419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.026419 (E_RNA)
where:
Base-Base interactions energy: -363.191
where: short stacking energy: -170.862
Base-Backbone interact. energy: -0.122
local terms energy: -175.713306
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -48.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -491.904245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.904245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.904245 (E_RNA)
where:
Base-Base interactions energy: -320.744
where: short stacking energy: -148.092
Base-Backbone interact. energy: -0.395
local terms energy: -170.765116
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -40.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -446.733546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.733546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.733546 (E_RNA)
where:
Base-Base interactions energy: -286.128
where: short stacking energy: -142.827
Base-Backbone interact. energy: -2.058
local terms energy: -158.547389
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -34.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -431.977018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.977018 (E_RNA)
where:
Base-Base interactions energy: -274.935
where: short stacking energy: -149.975
Base-Backbone interact. energy: -0.149
local terms energy: -156.892702
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -41.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -371.434986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.434986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.434986 (E_RNA)
where:
Base-Base interactions energy: -233.254
where: short stacking energy: -126.798
Base-Backbone interact. energy: 0.480
local terms energy: -138.660574
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -345.214576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.214576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.214576 (E_RNA)
where:
Base-Base interactions energy: -211.230
where: short stacking energy: -106.053
Base-Backbone interact. energy: -1.011
local terms energy: -132.973593
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -28.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -308.843079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.843079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.843079 (E_RNA)
where:
Base-Base interactions energy: -167.317
where: short stacking energy: -93.010
Base-Backbone interact. energy: -0.528
local terms energy: -140.997570
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -192.351607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.351607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.351607 (E_RNA)
where:
Base-Base interactions energy: -94.477
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.506
local terms energy: -97.368357
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -153.509560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.509560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.509560 (E_RNA)
where:
Base-Base interactions energy: -51.476
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.754
local terms energy: -101.280211
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -581.379625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.379625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.379625 (E_RNA)
where:
Base-Base interactions energy: -380.325
where: short stacking energy: -182.496
Base-Backbone interact. energy: -0.098
local terms energy: -200.957036
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -42.438
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -58.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -517.079448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.079448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.079448 (E_RNA)
where:
Base-Base interactions energy: -342.483
where: short stacking energy: -156.101
Base-Backbone interact. energy: -0.162
local terms energy: -174.434716
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -40.381
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -41.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -537.113591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.113591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.113591 (E_RNA)
where:
Base-Base interactions energy: -359.452
where: short stacking energy: -161.443
Base-Backbone interact. energy: -0.328
local terms energy: -177.333448
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -53.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -425.757338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.757338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.757338 (E_RNA)
where:
Base-Base interactions energy: -257.370
where: short stacking energy: -124.076
Base-Backbone interact. energy: 0.292
local terms energy: -168.679985
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -38.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -421.694823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.694823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.694823 (E_RNA)
where:
Base-Base interactions energy: -262.671
where: short stacking energy: -117.968
Base-Backbone interact. energy: -0.697
local terms energy: -158.327403
where:
bonds (distance) C4'-P energy: -34.512
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -35.381
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -33.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -352.170310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.170310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.170310 (E_RNA)
where:
Base-Base interactions energy: -199.581
where: short stacking energy: -107.347
Base-Backbone interact. energy: -0.161
local terms energy: -152.427953
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -332.424193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.424193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.424193 (E_RNA)
where:
Base-Base interactions energy: -187.241
where: short stacking energy: -101.240
Base-Backbone interact. energy: -0.288
local terms energy: -144.895600
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -30.429
flat angles C4'-P-C4' energy: -35.607
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -319.384374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.384374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.384374 (E_RNA)
where:
Base-Base interactions energy: -189.710
where: short stacking energy: -98.602
Base-Backbone interact. energy: 0.880
local terms energy: -130.554805
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -163.957310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.957310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.957310 (E_RNA)
where:
Base-Base interactions energy: -43.160
where: short stacking energy: -42.224
Base-Backbone interact. energy: -1.508
local terms energy: -119.288709
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -153.230061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.230061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.230061 (E_RNA)
where:
Base-Base interactions energy: -49.420
where: short stacking energy: -40.966
Base-Backbone interact. energy: -1.030
local terms energy: -102.780039
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -575.117019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.117019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.117019 (E_RNA)
where:
Base-Base interactions energy: -383.029
where: short stacking energy: -186.484
Base-Backbone interact. energy: -0.074
local terms energy: -192.014849
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -57.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -516.753149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.753149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.753149 (E_RNA)
where:
Base-Base interactions energy: -330.871
where: short stacking energy: -162.616
Base-Backbone interact. energy: -0.046
local terms energy: -185.836136
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -518.321672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.321672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.321672 (E_RNA)
where:
Base-Base interactions energy: -342.360
where: short stacking energy: -161.640
Base-Backbone interact. energy: -0.175
local terms energy: -175.786422
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -34.346
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -470.925975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.925975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.925975 (E_RNA)
where:
Base-Base interactions energy: -300.325
where: short stacking energy: -159.275
Base-Backbone interact. energy: 0.283
local terms energy: -170.883684
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -45.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -367.445769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.445769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.445769 (E_RNA)
where:
Base-Base interactions energy: -212.451
where: short stacking energy: -116.899
Base-Backbone interact. energy: -0.841
local terms energy: -154.153531
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -34.067
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -28.952
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -403.604979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.604979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.604979 (E_RNA)
where:
Base-Base interactions energy: -242.817
where: short stacking energy: -122.423
Base-Backbone interact. energy: -0.331
local terms energy: -160.456587
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -32.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -331.394366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.394366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.394366 (E_RNA)
where:
Base-Base interactions energy: -203.439
where: short stacking energy: -95.331
Base-Backbone interact. energy: 0.702
local terms energy: -128.657372
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -314.573351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.573351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.573351 (E_RNA)
where:
Base-Base interactions energy: -181.390
where: short stacking energy: -79.449
Base-Backbone interact. energy: -0.369
local terms energy: -132.813840
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -37.733
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -184.876255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.876255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.876255 (E_RNA)
where:
Base-Base interactions energy: -63.829
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.115
local terms energy: -120.932249
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -147.598820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.598820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.598820 (E_RNA)
where:
Base-Base interactions energy: -55.613
where: short stacking energy: -43.381
Base-Backbone interact. energy: -1.190
local terms energy: -90.795603
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -577.073189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.073189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.073189 (E_RNA)
where:
Base-Base interactions energy: -375.634
where: short stacking energy: -191.499
Base-Backbone interact. energy: 0.385
local terms energy: -201.824275
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -57.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -544.156109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.156109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.156109 (E_RNA)
where:
Base-Base interactions energy: -367.563
where: short stacking energy: -169.470
Base-Backbone interact. energy: -0.225
local terms energy: -176.368060
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -49.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -497.194227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.194227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.194227 (E_RNA)
where:
Base-Base interactions energy: -333.455
where: short stacking energy: -164.877
Base-Backbone interact. energy: -1.165
local terms energy: -162.574518
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -41.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -477.996520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.996520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.996520 (E_RNA)
where:
Base-Base interactions energy: -306.600
where: short stacking energy: -141.737
Base-Backbone interact. energy: 0.408
local terms energy: -171.805399
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -366.342554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.342554 (E_RNA)
where:
Base-Base interactions energy: -203.785
where: short stacking energy: -109.089
Base-Backbone interact. energy: -0.588
local terms energy: -161.969538
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -399.888170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.888170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.888170 (E_RNA)
where:
Base-Base interactions energy: -252.755
where: short stacking energy: -114.195
Base-Backbone interact. energy: -0.841
local terms energy: -146.292185
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -318.401774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.401774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.401774 (E_RNA)
where:
Base-Base interactions energy: -190.712
where: short stacking energy: -82.730
Base-Backbone interact. energy: 1.040
local terms energy: -128.729632
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -313.223395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.223395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.223395 (E_RNA)
where:
Base-Base interactions energy: -197.860
where: short stacking energy: -98.576
Base-Backbone interact. energy: -0.387
local terms energy: -114.976124
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -164.360769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.360769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.360769 (E_RNA)
where:
Base-Base interactions energy: -63.171
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.413
local terms energy: -100.777119
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -151.937914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.937914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.937914 (E_RNA)
where:
Base-Base interactions energy: -46.378
where: short stacking energy: -43.220
Base-Backbone interact. energy: 1.736
local terms energy: -107.295922
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -574.756321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.756321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.756321 (E_RNA)
where:
Base-Base interactions energy: -374.045
where: short stacking energy: -191.215
Base-Backbone interact. energy: -0.055
local terms energy: -200.656281
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -42.677
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: -56.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -548.299203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.299203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.299203 (E_RNA)
where:
Base-Base interactions energy: -375.144
where: short stacking energy: -161.015
Base-Backbone interact. energy: -0.323
local terms energy: -172.831485
where:
bonds (distance) C4'-P energy: -32.563
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -497.279483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.279483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.279483 (E_RNA)
where:
Base-Base interactions energy: -322.721
where: short stacking energy: -161.653
Base-Backbone interact. energy: -0.048
local terms energy: -174.510463
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -472.801523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.801523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.801523 (E_RNA)
where:
Base-Base interactions energy: -306.558
where: short stacking energy: -144.314
Base-Backbone interact. energy: -0.154
local terms energy: -166.089495
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -46.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -422.757806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.757806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.757806 (E_RNA)
where:
Base-Base interactions energy: -279.196
where: short stacking energy: -127.803
Base-Backbone interact. energy: -0.622
local terms energy: -142.939841
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -28.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -389.665560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.665560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.665560 (E_RNA)
where:
Base-Base interactions energy: -246.086
where: short stacking energy: -119.831
Base-Backbone interact. energy: -1.526
local terms energy: -142.053716
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -28.052
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -307.528410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.528410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.528410 (E_RNA)
where:
Base-Base interactions energy: -191.629
where: short stacking energy: -95.726
Base-Backbone interact. energy: -2.358
local terms energy: -113.541625
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -301.346590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.346590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.346590 (E_RNA)
where:
Base-Base interactions energy: -179.871
where: short stacking energy: -89.574
Base-Backbone interact. energy: -0.015
local terms energy: -121.460936
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -179.326418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.326418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326418 (E_RNA)
where:
Base-Base interactions energy: -70.565
where: short stacking energy: -55.074
Base-Backbone interact. energy: 0.072
local terms energy: -108.833070
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -41.400
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -152.665382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.665382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.665382 (E_RNA)
where:
Base-Base interactions energy: -57.100
where: short stacking energy: -41.072
Base-Backbone interact. energy: 5.155
local terms energy: -100.720442
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -582.417336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.417336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.417336 (E_RNA)
where:
Base-Base interactions energy: -389.796
where: short stacking energy: -193.886
Base-Backbone interact. energy: -0.156
local terms energy: -192.464854
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -29.384
tors. eta vs tors. theta energy: -64.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -554.516680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.516680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.516680 (E_RNA)
where:
Base-Base interactions energy: -366.689
where: short stacking energy: -166.464
Base-Backbone interact. energy: -1.164
local terms energy: -186.663173
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -52.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -492.560224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.560224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.560224 (E_RNA)
where:
Base-Base interactions energy: -327.471
where: short stacking energy: -142.641
Base-Backbone interact. energy: -0.888
local terms energy: -164.201792
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -39.306
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -36.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -446.166608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.166608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.166608 (E_RNA)
where:
Base-Base interactions energy: -282.625
where: short stacking energy: -150.354
Base-Backbone interact. energy: -0.213
local terms energy: -163.329213
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -427.666023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.666023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.666023 (E_RNA)
where:
Base-Base interactions energy: -271.963
where: short stacking energy: -131.429
Base-Backbone interact. energy: -0.634
local terms energy: -155.068654
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -36.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -357.158377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.158377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.158377 (E_RNA)
where:
Base-Base interactions energy: -215.897
where: short stacking energy: -110.488
Base-Backbone interact. energy: -0.397
local terms energy: -140.864807
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -34.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -333.192198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.192198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.192198 (E_RNA)
where:
Base-Base interactions energy: -190.348
where: short stacking energy: -101.012
Base-Backbone interact. energy: -0.894
local terms energy: -141.950097
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -316.273467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.273467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.273467 (E_RNA)
where:
Base-Base interactions energy: -189.896
where: short stacking energy: -94.851
Base-Backbone interact. energy: -0.497
local terms energy: -125.880755
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -180.862651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.862651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.862651 (E_RNA)
where:
Base-Base interactions energy: -75.261
where: short stacking energy: -67.047
Base-Backbone interact. energy: 0.727
local terms energy: -106.328658
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -167.158023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.158023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.158023 (E_RNA)
where:
Base-Base interactions energy: -57.998
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.490
local terms energy: -108.669840
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -568.131906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.131906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.131906 (E_RNA)
where:
Base-Base interactions energy: -372.853
where: short stacking energy: -183.948
Base-Backbone interact. energy: 0.342
local terms energy: -195.620097
where:
bonds (distance) C4'-P energy: -36.286
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -37.547
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -59.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -542.105891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.105891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.105891 (E_RNA)
where:
Base-Base interactions energy: -367.399
where: short stacking energy: -166.595
Base-Backbone interact. energy: 0.311
local terms energy: -175.017122
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -49.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -466.869403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.869403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.869403 (E_RNA)
where:
Base-Base interactions energy: -301.981
where: short stacking energy: -160.903
Base-Backbone interact. energy: -0.741
local terms energy: -164.148180
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -43.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -474.643935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.643935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.643935 (E_RNA)
where:
Base-Base interactions energy: -306.129
where: short stacking energy: -140.073
Base-Backbone interact. energy: -0.454
local terms energy: -168.060576
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -41.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -425.238134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.238134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.238134 (E_RNA)
where:
Base-Base interactions energy: -283.018
where: short stacking energy: -137.932
Base-Backbone interact. energy: -0.490
local terms energy: -141.729673
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -34.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -346.381007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.381007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.381007 (E_RNA)
where:
Base-Base interactions energy: -207.703
where: short stacking energy: -112.549
Base-Backbone interact. energy: -0.159
local terms energy: -138.519352
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -323.267317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.267317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.267317 (E_RNA)
where:
Base-Base interactions energy: -181.829
where: short stacking energy: -93.248
Base-Backbone interact. energy: -0.274
local terms energy: -141.163666
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -314.446217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.446217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.446217 (E_RNA)
where:
Base-Base interactions energy: -192.228
where: short stacking energy: -107.145
Base-Backbone interact. energy: -0.023
local terms energy: -122.195186
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -33.065
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -163.684132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.684132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.684132 (E_RNA)
where:
Base-Base interactions energy: -56.523
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.405
local terms energy: -106.756388
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -157.932392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.932392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.932392 (E_RNA)
where:
Base-Base interactions energy: -68.151
where: short stacking energy: -48.890
Base-Backbone interact. energy: 2.305
local terms energy: -92.086112
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -582.941389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.941389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.941389 (E_RNA)
where:
Base-Base interactions energy: -386.904
where: short stacking energy: -191.086
Base-Backbone interact. energy: -0.014
local terms energy: -196.023169
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -62.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -546.294993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.294993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.294993 (E_RNA)
where:
Base-Base interactions energy: -351.752
where: short stacking energy: -165.014
Base-Backbone interact. energy: -0.912
local terms energy: -193.630528
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -39.988
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: -54.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -452.147107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.147107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.147107 (E_RNA)
where:
Base-Base interactions energy: -292.553
where: short stacking energy: -146.017
Base-Backbone interact. energy: -0.418
local terms energy: -159.176356
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -35.886
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -38.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -464.594527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.594527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.594527 (E_RNA)
where:
Base-Base interactions energy: -292.790
where: short stacking energy: -140.477
Base-Backbone interact. energy: -0.785
local terms energy: -171.019914
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -38.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -416.973271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.973271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.973271 (E_RNA)
where:
Base-Base interactions energy: -265.374
where: short stacking energy: -123.695
Base-Backbone interact. energy: 0.917
local terms energy: -152.515997
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -27.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -344.957010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.957010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.957010 (E_RNA)
where:
Base-Base interactions energy: -202.473
where: short stacking energy: -108.395
Base-Backbone interact. energy: -1.100
local terms energy: -141.383802
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -350.677765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.677765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.677765 (E_RNA)
where:
Base-Base interactions energy: -210.767
where: short stacking energy: -108.643
Base-Backbone interact. energy: -1.496
local terms energy: -138.414612
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -32.114
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -318.857230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.857230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.857230 (E_RNA)
where:
Base-Base interactions energy: -177.124
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.338
local terms energy: -141.395333
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -162.126277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.126277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.126277 (E_RNA)
where:
Base-Base interactions energy: -59.461
where: short stacking energy: -51.243
Base-Backbone interact. energy: 1.639
local terms energy: -104.304274
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: 2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -150.843346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.843346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.843346 (E_RNA)
where:
Base-Base interactions energy: -58.007
where: short stacking energy: -58.007
Base-Backbone interact. energy: 0.731
local terms energy: -93.566778
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -590.269359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.269359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.269359 (E_RNA)
where:
Base-Base interactions energy: -389.299
where: short stacking energy: -203.081
Base-Backbone interact. energy: -0.084
local terms energy: -200.886384
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -63.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -540.881971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.881971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.881971 (E_RNA)
where:
Base-Base interactions energy: -360.052
where: short stacking energy: -164.516
Base-Backbone interact. energy: -0.129
local terms energy: -180.701101
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -38.199
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -49.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -491.712528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.712528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.712528 (E_RNA)
where:
Base-Base interactions energy: -307.495
where: short stacking energy: -149.548
Base-Backbone interact. energy: -0.864
local terms energy: -183.353295
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -39.155
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -456.581484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.581484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.581484 (E_RNA)
where:
Base-Base interactions energy: -302.698
where: short stacking energy: -149.566
Base-Backbone interact. energy: -0.393
local terms energy: -153.490750
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -432.759728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.759728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.759728 (E_RNA)
where:
Base-Base interactions energy: -277.889
where: short stacking energy: -125.935
Base-Backbone interact. energy: 4.879
local terms energy: -159.750676
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -35.656
flat angles C4'-P-C4' energy: -39.211
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -29.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -339.320670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.320670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.320670 (E_RNA)
where:
Base-Base interactions energy: -200.530
where: short stacking energy: -104.900
Base-Backbone interact. energy: -0.031
local terms energy: -138.759843
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -317.623975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.623975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.623975 (E_RNA)
where:
Base-Base interactions energy: -191.829
where: short stacking energy: -89.014
Base-Backbone interact. energy: 1.097
local terms energy: -126.892252
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -305.638006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.638006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.638006 (E_RNA)
where:
Base-Base interactions energy: -174.081
where: short stacking energy: -81.813
Base-Backbone interact. energy: 2.685
local terms energy: -134.242049
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -37.694
flat angles C4'-P-C4' energy: -32.476
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -162.521567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.521567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.521567 (E_RNA)
where:
Base-Base interactions energy: -60.971
where: short stacking energy: -55.279
Base-Backbone interact. energy: 0.785
local terms energy: -102.334950
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -153.966249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.966249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.966249 (E_RNA)
where:
Base-Base interactions energy: -70.825
where: short stacking energy: -60.371
Base-Backbone interact. energy: 0.485
local terms energy: -83.626836
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -582.342306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.342306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.342306 (E_RNA)
where:
Base-Base interactions energy: -391.080
where: short stacking energy: -184.066
Base-Backbone interact. energy: -0.003
local terms energy: -191.259781
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -61.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -545.259555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.259555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.259555 (E_RNA)
where:
Base-Base interactions energy: -363.109
where: short stacking energy: -180.129
Base-Backbone interact. energy: 1.435
local terms energy: -183.585062
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -36.394
flat angles C4'-P-C4' energy: -39.450
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -48.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -492.800122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.800122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.800122 (E_RNA)
where:
Base-Base interactions energy: -314.423
where: short stacking energy: -152.614
Base-Backbone interact. energy: -0.012
local terms energy: -178.365242
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -39.381
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -48.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -443.800408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.800408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.800408 (E_RNA)
where:
Base-Base interactions energy: -281.847
where: short stacking energy: -141.873
Base-Backbone interact. energy: -0.460
local terms energy: -161.492720
where:
bonds (distance) C4'-P energy: -36.065
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -38.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -421.224849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.224849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.224849 (E_RNA)
where:
Base-Base interactions energy: -266.486
where: short stacking energy: -123.855
Base-Backbone interact. energy: 0.517
local terms energy: -155.255817
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -31.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -344.332983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.332983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.332983 (E_RNA)
where:
Base-Base interactions energy: -190.202
where: short stacking energy: -101.344
Base-Backbone interact. energy: -0.946
local terms energy: -153.185272
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -36.651
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -319.286893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.286893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.286893 (E_RNA)
where:
Base-Base interactions energy: -190.352
where: short stacking energy: -106.610
Base-Backbone interact. energy: 0.035
local terms energy: -128.970342
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -307.424748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.424748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.424748 (E_RNA)
where:
Base-Base interactions energy: -175.278
where: short stacking energy: -91.294
Base-Backbone interact. energy: 1.006
local terms energy: -133.152969
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -174.375613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375613 (E_RNA)
where:
Base-Base interactions energy: -55.201
where: short stacking energy: -46.433
Base-Backbone interact. energy: -0.766
local terms energy: -118.408311
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -22.279
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -144.169301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.169301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.169301 (E_RNA)
where:
Base-Base interactions energy: -45.460
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.480
local terms energy: -98.229869
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: 2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -581.567788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.567788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.567788 (E_RNA)
where:
Base-Base interactions energy: -377.561
where: short stacking energy: -185.010
Base-Backbone interact. energy: -0.012
local terms energy: -203.995397
where:
bonds (distance) C4'-P energy: -34.153
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -29.219
tors. eta vs tors. theta energy: -59.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -543.663282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.663282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.663282 (E_RNA)
where:
Base-Base interactions energy: -358.375
where: short stacking energy: -169.336
Base-Backbone interact. energy: -0.068
local terms energy: -185.220125
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -49.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -486.396548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.396548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.396548 (E_RNA)
where:
Base-Base interactions energy: -318.531
where: short stacking energy: -154.420
Base-Backbone interact. energy: -1.778
local terms energy: -166.087741
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: -42.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -448.286581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.286581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.286581 (E_RNA)
where:
Base-Base interactions energy: -281.820
where: short stacking energy: -150.411
Base-Backbone interact. energy: 0.859
local terms energy: -167.324969
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -429.627034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.627034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.627034 (E_RNA)
where:
Base-Base interactions energy: -273.970
where: short stacking energy: -133.011
Base-Backbone interact. energy: -1.486
local terms energy: -154.171187
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -32.901
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -33.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -345.926791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.926791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.926791 (E_RNA)
where:
Base-Base interactions energy: -210.284
where: short stacking energy: -107.707
Base-Backbone interact. energy: -0.316
local terms energy: -135.326663
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -325.046753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.046753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.046753 (E_RNA)
where:
Base-Base interactions energy: -181.693
where: short stacking energy: -88.938
Base-Backbone interact. energy: -0.409
local terms energy: -142.945415
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -303.019488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.019488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.019488 (E_RNA)
where:
Base-Base interactions energy: -186.131
where: short stacking energy: -93.809
Base-Backbone interact. energy: 0.022
local terms energy: -116.910650
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -172.147319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.147319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.147319 (E_RNA)
where:
Base-Base interactions energy: -52.101
where: short stacking energy: -50.766
Base-Backbone interact. energy: 0.219
local terms energy: -120.264744
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -146.726190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.726190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.726190 (E_RNA)
where:
Base-Base interactions energy: -57.042
where: short stacking energy: -31.390
Base-Backbone interact. energy: 5.190
local terms energy: -94.874474
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -577.123264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.123264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.123264 (E_RNA)
where:
Base-Base interactions energy: -390.294
where: short stacking energy: -185.377
Base-Backbone interact. energy: -0.044
local terms energy: -186.785518
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -56.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -556.701447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.701447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.701447 (E_RNA)
where:
Base-Base interactions energy: -382.023
where: short stacking energy: -180.876
Base-Backbone interact. energy: 1.784
local terms energy: -176.462816
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -29.311
tors. eta vs tors. theta energy: -52.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -484.571086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.571086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.571086 (E_RNA)
where:
Base-Base interactions energy: -303.930
where: short stacking energy: -143.341
Base-Backbone interact. energy: -0.093
local terms energy: -180.548580
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -43.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -446.997735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.997735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.997735 (E_RNA)
where:
Base-Base interactions energy: -288.654
where: short stacking energy: -144.627
Base-Backbone interact. energy: -0.530
local terms energy: -157.814460
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -41.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -420.319445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.319445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.319445 (E_RNA)
where:
Base-Base interactions energy: -273.596
where: short stacking energy: -126.584
Base-Backbone interact. energy: -0.862
local terms energy: -145.861200
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -32.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -370.799873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.799873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.799873 (E_RNA)
where:
Base-Base interactions energy: -221.577
where: short stacking energy: -115.478
Base-Backbone interact. energy: -0.526
local terms energy: -148.696740
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -36.185
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -331.868509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.868509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.868509 (E_RNA)
where:
Base-Base interactions energy: -194.560
where: short stacking energy: -99.810
Base-Backbone interact. energy: -0.734
local terms energy: -136.574133
where:
bonds (distance) C4'-P energy: -35.885
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -303.072279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.072279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.072279 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -74.278
Base-Backbone interact. energy: 1.464
local terms energy: -123.369132
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -174.306325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.306325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.306325 (E_RNA)
where:
Base-Base interactions energy: -54.517
where: short stacking energy: -47.701
Base-Backbone interact. energy: -0.255
local terms energy: -119.533952
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -158.755394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755394 (E_RNA)
where:
Base-Base interactions energy: -48.421
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.481
local terms energy: -109.853318
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -549.140881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.140881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.140881 (E_RNA)
where:
Base-Base interactions energy: -363.079
where: short stacking energy: -179.238
Base-Backbone interact. energy: -0.318
local terms energy: -185.744468
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -60.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -564.046224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.046224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.046224 (E_RNA)
where:
Base-Base interactions energy: -372.268
where: short stacking energy: -181.473
Base-Backbone interact. energy: -0.013
local terms energy: -191.765084
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -58.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -496.945932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.945932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.945932 (E_RNA)
where:
Base-Base interactions energy: -316.299
where: short stacking energy: -161.522
Base-Backbone interact. energy: -0.453
local terms energy: -180.194031
where:
bonds (distance) C4'-P energy: -34.318
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -46.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -439.476805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.476805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.476805 (E_RNA)
where:
Base-Base interactions energy: -280.661
where: short stacking energy: -147.422
Base-Backbone interact. energy: -0.248
local terms energy: -158.567164
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -42.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -434.623767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.623767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.623767 (E_RNA)
where:
Base-Base interactions energy: -274.296
where: short stacking energy: -129.701
Base-Backbone interact. energy: -0.913
local terms energy: -159.415389
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -361.101870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.101870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.101870 (E_RNA)
where:
Base-Base interactions energy: -213.150
where: short stacking energy: -113.073
Base-Backbone interact. energy: -0.219
local terms energy: -147.733091
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -312.680878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.680878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.680878 (E_RNA)
where:
Base-Base interactions energy: -188.286
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.143
local terms energy: -124.251224
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -292.457908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.457908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.457908 (E_RNA)
where:
Base-Base interactions energy: -167.888
where: short stacking energy: -81.276
Base-Backbone interact. energy: -0.770
local terms energy: -123.800820
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -32.990
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -162.548767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.548767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.548767 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -52.304
Base-Backbone interact. energy: 1.836
local terms energy: -98.330216
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -162.175614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.175614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.175614 (E_RNA)
where:
Base-Base interactions energy: -55.538
where: short stacking energy: -48.092
Base-Backbone interact. energy: -0.228
local terms energy: -106.410247
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -556.073296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.073296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.073296 (E_RNA)
where:
Base-Base interactions energy: -363.223
where: short stacking energy: -183.399
Base-Backbone interact. energy: 0.860
local terms energy: -193.710353
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -37.714
flat angles C4'-P-C4' energy: -38.572
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -53.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -565.209489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.209489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.209489 (E_RNA)
where:
Base-Base interactions energy: -372.977
where: short stacking energy: -185.409
Base-Backbone interact. energy: -0.105
local terms energy: -192.127665
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -38.106
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -58.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -491.012145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.012145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.012145 (E_RNA)
where:
Base-Base interactions energy: -305.222
where: short stacking energy: -163.794
Base-Backbone interact. energy: -0.164
local terms energy: -185.625718
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -424.286368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.286368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.286368 (E_RNA)
where:
Base-Base interactions energy: -265.095
where: short stacking energy: -130.891
Base-Backbone interact. energy: -1.617
local terms energy: -157.574171
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -435.234198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.234198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.234198 (E_RNA)
where:
Base-Base interactions energy: -274.090
where: short stacking energy: -140.170
Base-Backbone interact. energy: -0.058
local terms energy: -161.085693
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -38.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -368.821157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.821157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.821157 (E_RNA)
where:
Base-Base interactions energy: -218.877
where: short stacking energy: -126.176
Base-Backbone interact. energy: 1.371
local terms energy: -151.315243
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -346.646412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.646412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.646412 (E_RNA)
where:
Base-Base interactions energy: -207.257
where: short stacking energy: -113.292
Base-Backbone interact. energy: -0.745
local terms energy: -138.644334
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -308.292637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.292637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.292637 (E_RNA)
where:
Base-Base interactions energy: -175.194
where: short stacking energy: -75.547
Base-Backbone interact. energy: -1.164
local terms energy: -131.934043
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -214.524725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.524725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.524725 (E_RNA)
where:
Base-Base interactions energy: -107.119
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.653
local terms energy: -106.752760
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -160.468454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.468454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.468454 (E_RNA)
where:
Base-Base interactions energy: -47.635
where: short stacking energy: -41.473
Base-Backbone interact. energy: -0.365
local terms energy: -112.468479
where:
bonds (distance) C4'-P energy: -34.287
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -577.652096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.652096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.652096 (E_RNA)
where:
Base-Base interactions energy: -380.319
where: short stacking energy: -186.633
Base-Backbone interact. energy: -0.051
local terms energy: -197.281953
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -58.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -548.629390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.629390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.629390 (E_RNA)
where:
Base-Base interactions energy: -358.813
where: short stacking energy: -166.734
Base-Backbone interact. energy: -0.419
local terms energy: -189.397728
where:
bonds (distance) C4'-P energy: -34.833
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: -52.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -515.029186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.029186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.029186 (E_RNA)
where:
Base-Base interactions energy: -335.977
where: short stacking energy: -164.656
Base-Backbone interact. energy: -0.128
local terms energy: -178.924253
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -34.038
flat angles C4'-P-C4' energy: -39.965
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -48.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -422.975437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.975437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.975437 (E_RNA)
where:
Base-Base interactions energy: -260.669
where: short stacking energy: -126.136
Base-Backbone interact. energy: -0.254
local terms energy: -162.051820
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -410.557856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.557856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.557856 (E_RNA)
where:
Base-Base interactions energy: -249.650
where: short stacking energy: -121.899
Base-Backbone interact. energy: -0.248
local terms energy: -160.659692
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -345.867904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.867904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.867904 (E_RNA)
where:
Base-Base interactions energy: -202.981
where: short stacking energy: -108.452
Base-Backbone interact. energy: -0.191
local terms energy: -142.695150
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -331.388203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.388203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.388203 (E_RNA)
where:
Base-Base interactions energy: -204.575
where: short stacking energy: -113.333
Base-Backbone interact. energy: -0.172
local terms energy: -126.640967
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -315.952754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.952754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.952754 (E_RNA)
where:
Base-Base interactions energy: -182.587
where: short stacking energy: -97.697
Base-Backbone interact. energy: -0.264
local terms energy: -133.102196
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -34.759
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -169.175991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.175991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.175991 (E_RNA)
where:
Base-Base interactions energy: -67.877
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.629
local terms energy: -100.669261
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -184.236920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.236920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.236920 (E_RNA)
where:
Base-Base interactions energy: -91.029
where: short stacking energy: -54.551
Base-Backbone interact. energy: 0.438
local terms energy: -93.646445
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -588.076563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.076563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.076563 (E_RNA)
where:
Base-Base interactions energy: -390.371
where: short stacking energy: -196.470
Base-Backbone interact. energy: -0.045
local terms energy: -197.661387
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -41.234
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -513.462998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.462998 (E_RNA)
where:
Base-Base interactions energy: -333.802
where: short stacking energy: -159.316
Base-Backbone interact. energy: -0.161
local terms energy: -179.499612
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -527.409666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.409666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.409666 (E_RNA)
where:
Base-Base interactions energy: -352.628
where: short stacking energy: -158.574
Base-Backbone interact. energy: -0.232
local terms energy: -174.549074
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -51.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -450.362092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.362092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.362092 (E_RNA)
where:
Base-Base interactions energy: -283.710
where: short stacking energy: -145.486
Base-Backbone interact. energy: 2.660
local terms energy: -169.312484
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -40.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -407.201827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.201827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.201827 (E_RNA)
where:
Base-Base interactions energy: -256.519
where: short stacking energy: -114.061
Base-Backbone interact. energy: -0.574
local terms energy: -150.108640
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -356.854203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.854203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.854203 (E_RNA)
where:
Base-Base interactions energy: -223.606
where: short stacking energy: -97.084
Base-Backbone interact. energy: -0.814
local terms energy: -132.434989
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -322.799774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.799774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.799774 (E_RNA)
where:
Base-Base interactions energy: -193.341
where: short stacking energy: -108.468
Base-Backbone interact. energy: 0.540
local terms energy: -129.998328
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -28.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -315.747325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.747325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.747325 (E_RNA)
where:
Base-Base interactions energy: -183.917
where: short stacking energy: -94.250
Base-Backbone interact. energy: -0.915
local terms energy: -130.914838
where:
bonds (distance) C4'-P energy: -36.243
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -162.351045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.351045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.351045 (E_RNA)
where:
Base-Base interactions energy: -64.073
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.562
local terms energy: -97.716399
where:
bonds (distance) C4'-P energy: -37.817
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -148.642600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.642600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.642600 (E_RNA)
where:
Base-Base interactions energy: -50.421
where: short stacking energy: -44.250
Base-Backbone interact. energy: 0.406
local terms energy: -98.627906
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -594.217255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.217255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.217255 (E_RNA)
where:
Base-Base interactions energy: -398.062
where: short stacking energy: -206.660
Base-Backbone interact. energy: -0.295
local terms energy: -195.859993
where:
bonds (distance) C4'-P energy: -32.326
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -62.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -503.955897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.955897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.955897 (E_RNA)
where:
Base-Base interactions energy: -318.132
where: short stacking energy: -159.438
Base-Backbone interact. energy: 0.139
local terms energy: -185.962975
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -49.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -451.952326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.952326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.952326 (E_RNA)
where:
Base-Base interactions energy: -280.863
where: short stacking energy: -145.273
Base-Backbone interact. energy: 1.093
local terms energy: -172.182105
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -491.528177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.528177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.528177 (E_RNA)
where:
Base-Base interactions energy: -328.061
where: short stacking energy: -152.205
Base-Backbone interact. energy: -0.582
local terms energy: -162.885181
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -44.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -418.994704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.994704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.994704 (E_RNA)
where:
Base-Base interactions energy: -262.247
where: short stacking energy: -122.134
Base-Backbone interact. energy: -0.135
local terms energy: -156.613081
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -332.795397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.795397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.795397 (E_RNA)
where:
Base-Base interactions energy: -204.313
where: short stacking energy: -100.921
Base-Backbone interact. energy: -2.230
local terms energy: -126.252980
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -336.829824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.829824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.829824 (E_RNA)
where:
Base-Base interactions energy: -196.543
where: short stacking energy: -100.338
Base-Backbone interact. energy: -0.537
local terms energy: -139.749575
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -36.549
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -312.632815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.632815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.632815 (E_RNA)
where:
Base-Base interactions energy: -175.062
where: short stacking energy: -93.549
Base-Backbone interact. energy: -0.303
local terms energy: -137.268356
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -212.666342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.666342 (E_RNA)
where:
Base-Base interactions energy: -107.467
where: short stacking energy: -72.259
Base-Backbone interact. energy: 1.792
local terms energy: -106.991290
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -149.467065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.467065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.467065 (E_RNA)
where:
Base-Base interactions energy: -51.337
where: short stacking energy: -49.440
Base-Backbone interact. energy: 1.728
local terms energy: -99.858664
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -581.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.092146 (E_RNA)
where:
Base-Base interactions energy: -396.821
where: short stacking energy: -196.189
Base-Backbone interact. energy: -0.013
local terms energy: -184.257898
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -39.674
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -59.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -466.200108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.200108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.200108 (E_RNA)
where:
Base-Base interactions energy: -307.750
where: short stacking energy: -150.006
Base-Backbone interact. energy: 1.590
local terms energy: -160.040480
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -34.698
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -37.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -515.348011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.348011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.348011 (E_RNA)
where:
Base-Base interactions energy: -333.057
where: short stacking energy: -168.558
Base-Backbone interact. energy: -5.027
local terms energy: -177.264411
where:
bonds (distance) C4'-P energy: -28.776
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -519.617384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.617384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.617384 (E_RNA)
where:
Base-Base interactions energy: -355.294
where: short stacking energy: -163.882
Base-Backbone interact. energy: -0.321
local terms energy: -164.002626
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -46.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -415.365465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.365465 (E_RNA)
where:
Base-Base interactions energy: -259.550
where: short stacking energy: -120.814
Base-Backbone interact. energy: -0.534
local terms energy: -155.280930
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -331.178374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.178374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.178374 (E_RNA)
where:
Base-Base interactions energy: -193.770
where: short stacking energy: -102.102
Base-Backbone interact. energy: -0.687
local terms energy: -136.720854
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -310.994498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.994498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.994498 (E_RNA)
where:
Base-Base interactions energy: -175.633
where: short stacking energy: -81.446
Base-Backbone interact. energy: -0.632
local terms energy: -134.729585
where:
bonds (distance) C4'-P energy: -28.538
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -310.974084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.974084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.974084 (E_RNA)
where:
Base-Base interactions energy: -175.096
where: short stacking energy: -98.724
Base-Backbone interact. energy: 0.646
local terms energy: -136.524540
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -166.001093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.001093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.001093 (E_RNA)
where:
Base-Base interactions energy: -78.690
where: short stacking energy: -53.822
Base-Backbone interact. energy: 0.409
local terms energy: -87.719494
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: 3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -182.626533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626533 (E_RNA)
where:
Base-Base interactions energy: -69.491
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.713
local terms energy: -112.422117
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -578.805281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.805281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.805281 (E_RNA)
where:
Base-Base interactions energy: -395.471
where: short stacking energy: -183.338
Base-Backbone interact. energy: -0.219
local terms energy: -183.115377
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -58.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -473.836869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.836869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.836869 (E_RNA)
where:
Base-Base interactions energy: -308.296
where: short stacking energy: -147.954
Base-Backbone interact. energy: 1.170
local terms energy: -166.710463
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -38.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -490.604731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.604731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.604731 (E_RNA)
where:
Base-Base interactions energy: -318.019
where: short stacking energy: -145.026
Base-Backbone interact. energy: -0.963
local terms energy: -171.622187
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -39.134
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -44.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -507.504990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.504990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.504990 (E_RNA)
where:
Base-Base interactions energy: -336.827
where: short stacking energy: -151.675
Base-Backbone interact. energy: -0.161
local terms energy: -170.517470
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -425.771443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.771443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.771443 (E_RNA)
where:
Base-Base interactions energy: -285.622
where: short stacking energy: -128.123
Base-Backbone interact. energy: -0.766
local terms energy: -139.383741
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -329.289943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.289943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.289943 (E_RNA)
where:
Base-Base interactions energy: -197.313
where: short stacking energy: -103.572
Base-Backbone interact. energy: -1.481
local terms energy: -130.496488
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -338.341263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.341263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.341263 (E_RNA)
where:
Base-Base interactions energy: -195.322
where: short stacking energy: -110.735
Base-Backbone interact. energy: -0.307
local terms energy: -142.712527
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -34.043
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -279.233278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.233278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.233278 (E_RNA)
where:
Base-Base interactions energy: -155.073
where: short stacking energy: -82.522
Base-Backbone interact. energy: -0.197
local terms energy: -123.962937
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -34.337
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -244.570729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.570729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.570729 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.295
local terms energy: -127.787581
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -149.787001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.787001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.787001 (E_RNA)
where:
Base-Base interactions energy: -59.243
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.693
local terms energy: -89.850859
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -31.192
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: 7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -593.282221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.282221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.282221 (E_RNA)
where:
Base-Base interactions energy: -391.571
where: short stacking energy: -189.102
Base-Backbone interact. energy: 0.321
local terms energy: -202.032247
where:
bonds (distance) C4'-P energy: -35.606
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -61.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -477.958602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.958602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.958602 (E_RNA)
where:
Base-Base interactions energy: -309.930
where: short stacking energy: -163.172
Base-Backbone interact. energy: 1.471
local terms energy: -169.499864
where:
bonds (distance) C4'-P energy: -27.802
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -473.023579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.023579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.023579 (E_RNA)
where:
Base-Base interactions energy: -312.138
where: short stacking energy: -146.529
Base-Backbone interact. energy: 0.360
local terms energy: -161.245557
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -42.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -506.617757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.617757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.617757 (E_RNA)
where:
Base-Base interactions energy: -325.652
where: short stacking energy: -151.457
Base-Backbone interact. energy: -1.049
local terms energy: -179.916837
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -417.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.968758 (E_RNA)
where:
Base-Base interactions energy: -276.595
where: short stacking energy: -129.890
Base-Backbone interact. energy: -0.780
local terms energy: -140.594434
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -29.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -339.929538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.929538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.929538 (E_RNA)
where:
Base-Base interactions energy: -205.392
where: short stacking energy: -109.365
Base-Backbone interact. energy: 0.982
local terms energy: -135.519624
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -371.469607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.469607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.469607 (E_RNA)
where:
Base-Base interactions energy: -226.223
where: short stacking energy: -113.860
Base-Backbone interact. energy: 1.802
local terms energy: -147.048438
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -285.841520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.841520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.841520 (E_RNA)
where:
Base-Base interactions energy: -154.438
where: short stacking energy: -92.326
Base-Backbone interact. energy: -0.280
local terms energy: -131.123603
where:
bonds (distance) C4'-P energy: -30.141
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -244.766787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.766787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.766787 (E_RNA)
where:
Base-Base interactions energy: -143.306
where: short stacking energy: -80.033
Base-Backbone interact. energy: 0.166
local terms energy: -101.626663
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -217.449099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449099 (E_RNA)
where:
Base-Base interactions energy: -105.122
where: short stacking energy: -58.547
Base-Backbone interact. energy: 0.527
local terms energy: -112.853389
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 26161221
moves confirmed later: 27987640
all moves confirmed: 54148861
percent of confirmed moves: 6.768608
current total energy: -540.874565
recalc. total energy: -540.874565
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 46804981
moves confirmed later: 55588853
all moves confirmed: 102393834
percent of confirmed moves: 12.799229
current total energy: -440.942466
recalc. total energy: -440.942466
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 28705808
moves confirmed later: 31220101
all moves confirmed: 59925909
percent of confirmed moves: 7.490739
current total energy: -454.364825
recalc. total energy: -454.364825
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 39897733
moves confirmed later: 46282677
all moves confirmed: 86180410
percent of confirmed moves: 10.772551
current total energy: -406.563305
recalc. total energy: -406.563305
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 46161433
moves confirmed later: 54908327
all moves confirmed: 101069760
percent of confirmed moves: 12.633720
current total energy: -361.411604
recalc. total energy: -361.411604
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 47788269
moves confirmed later: 57123216
all moves confirmed: 104911485
percent of confirmed moves: 13.113936
current total energy: -271.177605
recalc. total energy: -271.177605
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 54271996
moves confirmed later: 65762671
all moves confirmed: 120034667
percent of confirmed moves: 15.004333
current total energy: -241.545436
recalc. total energy: -241.545436
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 53646615
moves confirmed later: 64822436
all moves confirmed: 118469051
percent of confirmed moves: 14.808631
current total energy: -273.605158
recalc. total energy: -273.605158
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 41154403
moves confirmed later: 47868544
all moves confirmed: 89022947
percent of confirmed moves: 11.127868
current total energy: -119.734874
recalc. total energy: -119.734874
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 50385540
moves confirmed later: 59970024
all moves confirmed: 110355564
percent of confirmed moves: 13.794446
current total energy: -97.238219
recalc. total energy: -97.238219
out arg RESULTS//1/primer-7bf5910f_01
Time of doing 8000000 iterations: 5339.076 seconds